Name: Name:1H-Indole-2-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-1-(phenylsulfonyl)-
Brand: Angene
SKU: AG000SV3
Rating: 90 (10 reviews)

1H-Indole-2-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-1-(phenylsulfonyl)-

CAS No.:

1265231-91-1

Catalog Number:

AG000SV3

Molecular Formula:

C20H17N3O3S

Molecular Weight:

379.4323

Catalog Number:

AG000SV3

Chemical Name:

1H-Indole-2-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-1-(phenylsulfonyl)-

CAS Number:

1265231-91-1

Molecular Formula:

C20H17N3O3S

Molecular Weight:

379.4323

MDL Number:

MFCD30345534

IUPAC Name:

(E)-2-[1-(benzenesulfonyl)indole-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile

InChI:

InChI=1S/C20H17N3O3S/c1-22(2)14-16(13-21)20(24)19-12-15-8-6-7-11-18(15)23(19)27(25,26)17-9-4-3-5-10-17/h3-12,14H,1-2H3/b16-14+

InChI Key:

OQLIYMMRFFMCEJ-JQIJEIRASA-N

SMILES:

N#CC(=CN(C)C)C(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2

Complexity:

738

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.434g/mol

Monoisotopic Mass:

379.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5