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

Systemtic Name: N-(2-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-isopropylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: N-[2-(methylthio)phenyl]-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(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=C3SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

InChI

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