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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[3-[ethyl(phenyl)amino]propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-ethylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(N-ethylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-ethylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-ethylanilino)propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4S/c1-2-30(21-11-6-5-7-12-21)16-10-15-28-27(33)24-20-26(32)29-25-14-13-22(19-23(24)25)36(34,35)31-17-8-3-4-9-18-31/h5-7,11-14,19-20H,2-4,8-10,15-18H2,1H3,(H,28,33)(H,29,32)