(4-bromophenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: (4-bromophenyl) 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Openeye Name: (4-bromophenyl) 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionic acid (4-bromophenyl) ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H19BrN2O6S/c21-14-3-5-15(6-4-14)28-19(24)9-12-23-17-8-7-16(13-18(17)29-20(23)25)30(26,27)22-10-1-2-11-22/h3-8,13H,1-2,9-12H2