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

Systemtic Name: 7-[(4-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(4-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(4-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(4-bromophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(brosylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C16H13BrNO6S- MolecularWeight: 427.24652

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Br)OC1

InChI

InChI=1S/C16H14BrNO6S/c17-10-2-4-11(5-3-10)25(21,22)18-13-9-15-14(8-12(13)16(19)20)23-6-1-7-24-15/h2-5,8-9,18H,1,6-7H2,(H,19,20)/p-1