N-(3-chloranyl-2-methyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-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=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

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