N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxo-1-quinolyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-2-oxo-1-quinolinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxoquinolin-1-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-4-methyl-1-quinolyl)propionamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=CC=CC=C12)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)N(C2=CC=CC=C12)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S/c1-18-17-24(29)28(23-10-6-5-9-22(18)23)19(2)25(30)26-20-11-13-21(14-12-20)33(31,32)27-15-7-3-4-8-16-27/h5-6,9-14,17,19H,3-4,7-8,15-16H2,1-2H3,(H,26,30)