N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-14-4-6-17(24(26)27)13-20(14)32(28,29)23-10-8-15(9-11-23)21(25)22-16-5-7-18(30-2)19(12-16)31-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,22,25)