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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(E)-piperonylideneamino]-1-tosyl-isonipecotamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-15-2-5-18(6-3-15)30(26,27)24-10-8-17(9-11-24)21(25)23-22-13-16-4-7-19-20(12-16)29-14-28-19/h2-7,12-13,17H,8-11,14H2,1H3,(H,23,25)/b22-13+