1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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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=CC=CC=C3SC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H23N3O5S2/c1-14-7-8-16(23(25)26)13-19(14)30(27,28)22-11-9-15(10-12-22)20(24)21-17-5-3-4-6-18(17)29-2/h3-8,13,15H,9-12H2,1-2H3,(H,21,24)