1,3-benzodioxol-5-yl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21NO6S/c23-21(28-18-6-7-19-20(14-18)27-15-26-19)17-8-11-22(12-9-17)29(24,25)13-10-16-4-2-1-3-5-16/h1-7,10,13-14,17H,8-9,11-12,15H2/b13-10+