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

Systemtic Name: 7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(3-carboxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H15NO8S MolecularWeight: 393.3679

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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(=C3)C(=O)O)OC1

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO8S/c19-16(20)10-3-1-4-11(7-10)27(23,24)18-13-9-15-14(8-12(13)17(21)22)25-5-2-6-26-15/h1,3-4,7-9,18H,2,5-6H2,(H,19,20)(H,21,22)