N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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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)NC(C3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C3CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O6S/c1-16-3-8-20(27(29)30)15-22(16)34(31,32)26-13-11-19(12-14-26)24(28)25-23(17-4-5-17)18-6-9-21(33-2)10-7-18/h3,6-10,15,17,19,23H,4-5,11-14H2,1-2H3,(H,25,28)