[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1,3-oxazol-5-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-(1,3-oxazol-5-yl)benzoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-oxazol-5-ylbenzoate CAS Name: 4-(5-oxazolyl)benzoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-(1,3-oxazol-5-yl)benzoate Traditional Name: 4-oxazol-5-ylbenzoic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C4=CN=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C4=CN=CO4

InChI

InChI=1S/C22H21N3O6S/c26-21(14-30-22(27)17-8-6-16(7-9-17)20-13-23-15-31-20)24-18-4-3-5-19(12-18)32(28,29)25-10-1-2-11-25/h3-9,12-13,15H,1-2,10-11,14H2,(H,24,26)