2-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoic acid CAS Name: 2-[[2-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]pyrrolidino]sulfonylbenzoic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c24-19(22-16(21(27)28)13-14-7-2-1-3-8-14)17-10-6-12-23(17)31(29,30)18-11-5-4-9-15(18)20(25)26/h1-5,7-9,11,16-17H,6,10,12-13H2,(H,22,24)(H,25,26)(H,27,28)