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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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