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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C23H29N3O7S MolecularWeight: 491.55726

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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)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N3O7S/c1-16-4-6-19(26(28)29)15-22(16)34(30,31)25-12-9-18(10-13-25)23(27)24-11-8-17-5-7-20(32-2)21(14-17)33-3/h4-7,14-15,18H,8-13H2,1-3H3,(H,24,27)