N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxo-1-quinolyl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-4,6,8-trimethyl-1-quinolyl)butyramide Formula: C28H35N3O4S MolecularWeight: 509.6602

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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=CC(=CC(=C43)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=O)C=C(C4=CC(=CC(=C43)C)C)C

InChI

InChI=1S/C28H35N3O4S/c1-5-25(31-26(32)18-20(3)24-17-19(2)16-21(4)27(24)31)28(33)29-22-10-12-23(13-11-22)36(34,35)30-14-8-6-7-9-15-30/h10-13,16-18,25H,5-9,14-15H2,1-4H3,(H,29,33)