Name: Name:3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-α,α-diphenyl-, (3S)-
Brand: Angene
SKU: AG001495
Rating: 90 (10 reviews)

3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-α,α-diphenyl-, (3S)-

CAS No.:

133099-09-9

Catalog Number:

AG001495

Molecular Formula:

C25H24N2O2S

Molecular Weight:

416.5353

Catalog Number:

AG001495

Chemical Name:

3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-α,α-diphenyl-, (3S)-

CAS Number:

133099-09-9

Molecular Formula:

C25H24N2O2S

Molecular Weight:

416.5353

MDL Number:

MFCD11616859

IUPAC Name:

2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile

InChI:

InChI=1S/C25H24N2O2S/c1-20-12-14-24(15-13-20)30(28,29)27-17-16-23(18-27)25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3/t23-/m1/s1

InChI Key:

XPQZNOFTICUMIN-HSZRJFAPSA-N

SMILES:

N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc(cc1)C

EC Number:

603-706-2

Complexity:

696

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

416.156g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

416.539g/mol

Monoisotopic Mass:

416.156g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7