4-(3,5-dimethylpiperidin-1-yl)-N-[[2-(methylsulfonylamino)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)-N-[[2-(methylsulfonylamino)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(3,5-dimethyl-1-piperidyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)-N-[[2-(methanesulfonamido)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(3,5-dimethylpiperidino)-N-[2-(methanesulfonamido)benzyl]-3-nitro-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3NS(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O5S/c1-15-10-16(2)14-25(13-15)20-9-8-17(11-21(20)26(28)29)22(27)23-12-18-6-4-5-7-19(18)24-32(3,30)31/h4-9,11,15-16,24H,10,12-14H2,1-3H3,(H,23,27)