[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3,5-diacetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC(=O)C

InChI

InChI=1S/C23H25N3O7S/c1-15(27)24-19-11-18(12-20(13-19)25-16(2)28)23(30)33-14-22(29)17-5-7-21(8-6-17)34(31,32)26-9-3-4-10-26/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,24,27)(H,25,28)