N-(5-tert-butyl-2-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-16-6-8-19(27(29)30)15-22(16)34(31,32)26-12-10-17(11-13-26)23(28)25-20-14-18(24(2,3)4)7-9-21(20)33-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,25,28)