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

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C22H20BrN3O5S2 MolecularWeight: 550.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H20BrN3O5S2/c23-17-7-3-5-15(11-17)19-14-32-22(24-19)25-20(27)13-31-21(28)16-6-4-8-18(12-16)33(29,30)26-9-1-2-10-26/h3-8,11-12,14H,1-2,9-10,13H2,(H,24,25,27)