N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-p-cumenylsulfonyl-isonipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H28N2O3S2/c1-16(2)17-7-9-21(10-8-17)29(26,27)24-13-11-18(12-14-24)22(25)23-19-5-4-6-20(15-19)28-3/h4-10,15-16,18H,11-14H2,1-3H3,(H,23,25)