[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C19H18BrNO7S MolecularWeight: 484.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrNO7S/c20-13-1-3-14(4-2-13)21-18(22)12-28-19(23)7-10-29(24,25)15-5-6-16-17(11-15)27-9-8-26-16/h1-6,11H,7-10,12H2,(H,21,22)