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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[(E)-piperonylideneamino]isonipecotamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N/N=C/C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O5S/c21-16-2-4-17(5-3-16)30(26,27)24-9-7-15(8-10-24)20(25)23-22-12-14-1-6-18-19(11-14)29-13-28-18/h1-6,11-12,15H,7-10,13H2,(H,23,25)/b22-12+