6-(azepan-1-ylsulfonyl)-N-[3-[bis(2-methylpropyl)amino]propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[3-[bis(2-methylpropyl)amino]propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[3-(diisobutylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-[bis(2-methylpropyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[3-[bis(2-methylpropyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(diisobutylamino)propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C27H42N4O4S MolecularWeight: 518.71178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC(C)C

InChI

InChI=1S/C27H42N4O4S/c1-20(2)18-30(19-21(3)4)13-9-12-28-27(33)24-17-26(32)29-25-11-10-22(16-23(24)25)36(34,35)31-14-7-5-6-8-15-31/h10-11,16-17,20-21H,5-9,12-15,18-19H2,1-4H3,(H,28,33)(H,29,32)