(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21ClN2O6S/c23-19-11-16(12-20-21(19)30-10-9-29-20)14-31-22(26)17-5-7-25(8-6-17)32(27,28)18-3-1-15(13-24)2-4-18/h1-4,11-12,17H,5-10,14H2