Name: Name:1-Tolysulfonylpiperidine-4,4-dimethanol, 4,4-bis(4-methylbenzenesulfonate)
Brand: Angene
SKU: AG00HY0B
Rating: 90 (10 reviews)

1-Tolysulfonylpiperidine-4,4-dimethanol, 4,4-bis(4-methylbenzenesulfonate)

CAS No.:

1523572-05-5

Catalog Number:

AG00HY0B

Molecular Formula:

C28H33NO8S3

Molecular Weight:

607.7585

Catalog Number:

AG00HY0B

Chemical Name:

1-Tolysulfonylpiperidine-4,4-dimethanol, 4,4-bis(4-methylbenzenesulfonate)

CAS Number:

1523572-05-5

Molecular Formula:

C28H33NO8S3

Molecular Weight:

607.7585

MDL Number:

MFCD27986967

IUPAC Name:

[1-(4-methylphenyl)sulfonyl-4-[(4-methylphenyl)sulfonyloxymethyl]piperidin-4-yl]methyl 4-methylbenzenesulfonate

InChI:

InChI=1S/C28H33NO8S3/c1-22-4-10-25(11-5-22)38(30,31)29-18-16-28(17-19-29,20-36-39(32,33)26-12-6-23(2)7-13-26)21-37-40(34,35)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3

InChI Key:

WOWYUWRCXZYUAK-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)OCC1(CCN(CC1)S(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C

Complexity:

1060

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

607.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

607.751g/mol

Monoisotopic Mass:

607.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7