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

Systemtic Name: N-[2-(2-methoxyphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-methoxyphenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-methoxyphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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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=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O6S/c1-16-7-8-19(25(27)28)15-21(16)32(29,30)24-13-10-18(11-14-24)22(26)23-12-9-17-5-3-4-6-20(17)31-2/h3-8,15,18H,9-14H2,1-2H3,(H,23,26)