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

Systemtic Name: 7-[(4-methoxycarbonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(4-methoxycarbonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(4-methoxycarbonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(4-methoxycarbonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(4-carbomethoxyphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C18H16NO8S- MolecularWeight: 406.38654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C18H17NO8S/c1-25-18(22)11-3-5-12(6-4-11)28(23,24)19-14-10-16-15(9-13(14)17(20)21)26-7-2-8-27-16/h3-6,9-10,19H,2,7-8H2,1H3,(H,20,21)/p-1