N-methyl-N-[(2-methylphenyl)methyl]-1-(2-nitro-4-sulfamoyl-phenyl)piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(2-methylphenyl)methyl]-1-(2-nitro-4-sulfamoyl-phenyl)piperidine-4-carboxamide Openeye Name: N-methyl-1-(2-nitro-4-sulfamoyl-phenyl)-N-(o-tolylmethyl)piperidine-4-carboxamide CAS Name: N-methyl-N-[(2-methylphenyl)methyl]-1-(2-nitro-4-sulfamoylphenyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(2-methylphenyl)methyl]-1-(2-nitro-4-sulfamoylphenyl)piperidine-4-carboxamide Traditional Name: N-methyl-N-(2-methylbenzyl)-1-(2-nitro-4-sulfamoyl-phenyl)isonipecotamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

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