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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-[methyl-(phenylmethyl)amino]ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-[benzyl(methyl)amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-[methyl-(phenylmethyl)amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-[benzyl(methyl)amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-[benzyl(methyl)amino]ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4S/c1-29(19-20-9-5-4-6-10-20)16-13-27-26(32)23-18-25(31)28-24-12-11-21(17-22(23)24)35(33,34)30-14-7-2-3-8-15-30/h4-6,9-12,17-18H,2-3,7-8,13-16,19H2,1H3,(H,27,32)(H,28,31)