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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

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