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

Systemtic Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-(p-tolylsulfonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(tosylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C17H16NO6S- MolecularWeight: 362.37704

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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)/p-1