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

Systemtic Name: 7-[(4-carboxylatophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(4-carboxylatophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(4-carboxylatophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(4-carboxylatophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(4-carboxylatophenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C17H13NO8S-2 MolecularWeight: 391.35202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO8S/c19-16(20)10-2-4-11(5-3-10)27(23,24)18-13-9-15-14(8-12(13)17(21)22)25-6-1-7-26-15/h2-5,8-9,18H,1,6-7H2,(H,19,20)(H,21,22)/p-2