N-(3-methylsulfanylphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S2/c1-27-20-9-5-8-19(16-20)22-21(24)18-10-13-23(14-11-18)28(25,26)15-12-17-6-3-2-4-7-17/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,22,24)/b15-12+