1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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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-])OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14-4-7-20(15(2)12-14)31(28,29)23-10-8-16(9-11-23)21(25)22-18-13-17(24(26)27)5-6-19(18)30-3/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,25)