[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxy-propanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-(brosylamino)-3-hydroxy-propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C19H19BrN2O8S MolecularWeight: 515.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C(CO)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C(CO)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O8S/c20-12-1-4-14(5-2-12)31(26,27)22-15(10-23)19(25)30-11-18(24)21-13-3-6-16-17(9-13)29-8-7-28-16/h1-6,9,15,22-23H,7-8,10-11H2,(H,21,24)