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

Systemtic Name: 7-[(phenylmethyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-(benzylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(phenylmethyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-(benzylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-(benzylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)OC1

InChI

InChI=1S/C17H17NO6S/c19-17(20)13-9-15-16(24-8-4-7-23-15)10-14(13)18-25(21,22)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,18H,4,7-8,11H2,(H,19,20)