1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-3-nitro-phenyl)isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-14-5-7-19(12-16(14)3)30(28,29)23-10-8-17(9-11-23)21(25)22-18-6-4-15(2)20(13-18)24(26)27/h4-7,12-13,17H,8-11H2,1-3H3,(H,22,25)