N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S2/c1-24(18-20-8-10-22(29-2)11-9-20)23(26)21-12-15-25(16-13-21)30(27,28)17-14-19-6-4-3-5-7-19/h3-11,14,17,21H,12-13,15-16,18H2,1-2H3/b17-14+