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

Systemtic Name: 7-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(5-carboxylato-2,3-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(5-carboxylato-2,3-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[(5-carboxylato-2,3-dimethyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C19H17NO8S-2 MolecularWeight: 419.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3)C

InChI

InChI=1S/C19H19NO8S/c1-10-6-12(18(21)22)7-17(11(10)2)29(25,26)20-14-9-16-15(8-13(14)19(23)24)27-4-3-5-28-16/h6-9,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)/p-2