methyl 4-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzoic acid methyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C22H23N3O7S/c1-31-21(27)15-4-6-16(7-5-15)23-20(26)10-13-25-18-9-8-17(14-19(18)32-22(25)28)33(29,30)24-11-2-3-12-24/h4-9,14H,2-3,10-13H2,1H3,(H,23,26)