[3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [3-phenyl-3-(p-tolylsulfonylamino)propyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] ester IUPAC Name: [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [3-phenyl-3-(tosylamino)propyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCOC(=O)C2=COCCO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCOC(=O)C2=COCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-16-7-9-18(10-8-16)29(24,25)22-19(17-5-3-2-4-6-17)11-12-28-21(23)20-15-26-13-14-27-20/h2-10,15,19,22H,11-14H2,1H3