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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)C)CC(C)C

Isomeric SMILES

CC(C)CN(CCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)C)CC(C)C

InChI

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