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

Systemtic Name: 7-[(2,4-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2,4-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(2,4-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2,4-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(2,4-dimethylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-11-4-5-17(12(2)8-11)26(22,23)19-14-10-16-15(9-13(14)18(20)21)24-6-3-7-25-16/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,20,21)