N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isopropyl-2-methyl-propyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,4-dimethylpentan-3-yl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isopropyl-2-methyl-propyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H32N2O3S2 MolecularWeight: 412.60968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)C(C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H32N2O3S2/c1-14(2)19(15(3)4)21-20(23)16-10-12-22(13-11-16)27(24,25)18-8-6-17(26-5)7-9-18/h6-9,14-16,19H,10-13H2,1-5H3,(H,21,23)