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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]-5-nitro-benzamide Openeye Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[[3-(methanesulfonamido)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[3-(methanesulfonamido)benzyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

InChI

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