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

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-oxidanylidene-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-oxo-6-(1-piperidylsulfonyl)-1H-quinoline-4-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-oxo-6-(1-piperidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-keto-6-piperidinosulfonyl-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)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H38N4O4S/c1-2-3-16-32(22-23-11-6-4-7-12-23)17-10-15-30-29(35)26-21-28(34)31-27-14-13-24(20-25(26)27)38(36,37)33-18-8-5-9-19-33/h4,6-7,11-14,20-21H,2-3,5,8-10,15-19,22H2,1H3,(H,30,35)(H,31,34)