[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrN2O5S/c20-15-4-3-5-16(12-15)21-18(23)13-27-19(24)14-6-8-17(9-7-14)28(25,26)22-10-1-2-11-22/h3-9,12H,1-2,10-11,13H2,(H,21,23)