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

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 2-(p-tolylsulfonylamino)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-[(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-(tosylamino)ethyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCOC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCOC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO6S/c1-14-3-6-16(7-4-14)27(22,23)20-9-12-26-19(21)15-5-8-17-18(13-15)25-11-2-10-24-17/h3-8,13,20H,2,9-12H2,1H3