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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[3-[butyl(phenyl)amino]propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-butylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(N-butylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-butylanilino)propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(N-butylanilino)propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O4S/c1-2-3-17-32(23-12-7-6-8-13-23)18-11-16-30-29(35)26-22-28(34)31-27-15-14-24(21-25(26)27)38(36,37)33-19-9-4-5-10-20-33/h6-8,12-15,21-22H,2-5,9-11,16-20H2,1H3,(H,30,35)(H,31,34)