7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(2-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3Br)OC1

InChI

InChI=1S/C16H14BrNO6S/c17-11-4-1-2-5-15(11)25(21,22)18-12-9-14-13(8-10(12)16(19)20)23-6-3-7-24-14/h1-2,4-5,8-9,18H,3,6-7H2,(H,19,20)