4-(3-methylpiperidin-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(3-methylpiperidino)-N-[3-(methylsulfamoyl)benzyl]-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-15-5-4-10-24(14-15)19-9-8-17(12-20(19)25(27)28)21(26)23-13-16-6-3-7-18(11-16)31(29,30)22-2/h3,6-9,11-12,15,22H,4-5,10,13-14H2,1-2H3,(H,23,26)