[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H19BrN2O5S/c1-12(18(23)21-16-6-4-15(20)5-7-16)27-19(24)14-3-8-17-13(11-14)9-10-22(17)28(2,25)26/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)