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

Systemtic Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-(p-tolylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-(tosylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-11-3-5-12(6-4-11)25(21,22)18-14-10-16-15(9-13(14)17(19)20)23-7-2-8-24-16/h3-6,9-10,18H,2,7-8H2,1H3,(H,19,20)