N-(2-methyl-3-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-1-tosyl-isonipecotamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-14-6-8-17(9-7-14)29(27,28)22-12-10-16(11-13-22)20(24)21-18-4-3-5-19(15(18)2)23(25)26/h3-9,16H,10-13H2,1-2H3,(H,21,24)