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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,8-dimethyl-2-oxo-1-quinolyl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4,8-dimethyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-4,8-dimethyl-1-quinolyl)butyramide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C27H33N3O4S/c1-4-24(30-25(31)18-20(3)23-11-9-10-19(2)26(23)30)27(32)28-21-12-14-22(15-13-21)35(33,34)29-16-7-5-6-8-17-29/h9-15,18,24H,4-8,16-17H2,1-3H3,(H,28,32)