2-oxidanyl-2-(phenoxymethyl)-3-[4-[(4-pyrrolidin-1-ylphenyl)carbonylamino]phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-oxidanyl-2-(phenoxymethyl)-3-[4-[(4-pyrrolidin-1-ylphenyl)carbonylamino]phenyl]sulfonyl-propanoic acid Openeye Name: 2-hydroxy-2-(phenoxymethyl)-3-[4-[(4-pyrrolidin-1-ylbenzoyl)amino]phenyl]sulfonyl-propanoic acid CAS Name: 2-hydroxy-2-[[4-[[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]amino]phenyl]sulfonylmethyl]-3-phenoxypropanoic acid IUPAC Name: 2-hydroxy-2-(phenoxymethyl)-3-[4-[(4-pyrrolidin-1-ylbenzoyl)amino]phenyl]sulfonylpropanoic acid Traditional Name: 2-hydroxy-2-(phenoxymethyl)-3-[4-[(4-pyrrolidinobenzoyl)amino]phenyl]sulfonyl-propionic acid Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC(COC4=CC=CC=C4)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC(COC4=CC=CC=C4)(C(=O)O)O

InChI

InChI=1S/C27H28N2O7S/c30-25(20-8-12-22(13-9-20)29-16-4-5-17-29)28-21-10-14-24(15-11-21)37(34,35)19-27(33,26(31)32)18-36-23-6-2-1-3-7-23/h1-3,6-15,33H,4-5,16-19H2,(H,28,30)(H,31,32)