(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrNO6S/c22-18-13-20-19(27-10-11-28-20)12-16(18)14-29-21(24)15-6-8-23(9-7-15)30(25,26)17-4-2-1-3-5-17/h1-5,12-13,15H,6-11,14H2