6-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(4-ethylbenzyl)-2-keto-1H-quinoline-4-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S/c1-2-18-7-9-19(10-8-18)17-26-25(30)22-16-24(29)27-23-12-11-20(15-21(22)23)33(31,32)28-13-5-3-4-6-14-28/h7-12,15-16H,2-6,13-14,17H2,1H3,(H,26,30)(H,27,29)