(3R)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[2-(phenylthio)phenyl]nipecotamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O4S2/c1-19-17-22(14-15-24(19)32-2)34(30,31)28-16-8-9-20(18-28)26(29)27-23-12-6-7-13-25(23)33-21-10-4-3-5-11-21/h3-7,10-15,17,20H,8-9,16,18H2,1-2H3,(H,27,29)/t20-/m1/s1