6-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-[3-(4-methylpiperazino)propyl]-1H-quinoline-4-carboxamide Formula: C24H35N5O4S MolecularWeight: 489.6308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H35N5O4S/c1-27-13-15-28(16-14-27)10-6-9-25-24(31)21-18-23(30)26-22-8-7-19(17-20(21)22)34(32,33)29-11-4-2-3-5-12-29/h7-8,17-18H,2-6,9-16H2,1H3,(H,25,31)(H,26,30)