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

Systemtic Name: N-(2,3-dimethylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-5-4-6-20(16(15)2)22-21(24)17-11-13-23(14-12-17)28(25,26)19-9-7-18(27-3)8-10-19/h4-10,17H,11-14H2,1-3H3,(H,22,24)