N-methyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: N-methyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide CAS Name: N-methyl-4-[4-(phenylthio)phenyl]sulfonyl-1-prop-2-ynyl-4-piperidinecarboxamide IUPAC Name: N-methyl-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide Traditional Name: N-methyl-4-[4-(phenylthio)phenyl]sulfonyl-1-propargyl-isonipecotamide Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1(CCN(CC1)CC#C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1(CCN(CC1)CC#C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S2/c1-3-15-24-16-13-22(14-17-24,21(25)23-2)29(26,27)20-11-9-19(10-12-20)28-18-7-5-4-6-8-18/h1,4-12H,13-17H2,2H3,(H,23,25)