N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,8-dimethyl-2-oxo-1-quinolyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(4,8-dimethyl-2-oxo-1-quinolinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-keto-4,8-dimethyl-1-quinolyl)propionamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C=C2C)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C=C2C)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N3O4S/c1-19-8-7-9-23-20(2)18-25(31)29(26(19)23)17-14-24(30)27-21-10-12-22(13-11-21)34(32,33)28-15-5-3-4-6-16-28/h7-13,18H,3-6,14-17H2,1-2H3,(H,27,30)