6-(diethylsulfamoyl)-4-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-quinoline-3-carboxamide

Systemtic Name: 6-(diethylsulfamoyl)-4-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-quinoline-3-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-(diethylsulfamoyl)-4-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1H-quinoline-3-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-6-(diethylsulfamoyl)-4-keto-1H-quinoline-3-carboxamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N5O4S/c1-3-33(4-2)38(36,37)23-11-12-26-24(19-23)27(34)25(20-30-26)28(35)29-13-8-14-31-15-17-32(18-16-31)21-22-9-6-5-7-10-22/h5-7,9-12,19-20H,3-4,8,13-18,21H2,1-2H3,(H,29,35)(H,30,34)