(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(methylthio)phenyl]nipecotamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3SC)OC

InChI

InChI=1S/C21H26N2O5S2/c1-27-18-11-10-16(13-19(18)28-2)30(25,26)23-12-6-7-15(14-23)21(24)22-17-8-4-5-9-20(17)29-3/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3,(H,22,24)/t15-/m0/s1