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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-chloro-2-methylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2-methylphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S2/c1-14-13-16(21)3-8-19(14)22-20(24)15-9-11-23(12-10-15)28(25,26)18-6-4-17(27-2)5-7-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)