1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: 4-benzyloxy-1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]phenyl]sulfonyl-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: 4-benzoxy-1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]phenyl]sulfonyl-proline Formula: C32H36N2O7S MolecularWeight: 592.70244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CC(CC4C(=O)O)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CC(CC4C(=O)O)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H36N2O7S/c35-31(36)29(17-10-23-8-13-26(14-9-23)33-18-4-5-19-33)25-11-15-28(16-12-25)42(39,40)34-21-27(20-30(34)32(37)38)41-22-24-6-2-1-3-7-24/h1-3,6-9,11-16,27,29-30H,4-5,10,17-22H2,(H,35,36)(H,37,38)