N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-2-(p-tolyl)vinyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-piperonyl-1-[(E)-2-(p-tolyl)vinyl]sulfonyl-isonipecotamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O5S/c1-17-2-4-18(5-3-17)10-13-31(27,28)25-11-8-20(9-12-25)23(26)24-15-19-6-7-21-22(14-19)30-16-29-21/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3,(H,24,26)/b13-10+