2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[4-[1-oxo-2-[4-(1-pyrrolidinyl)phenyl]butoxy]phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[4-[2-(4-pyrrolidinophenyl)butanoyloxy]phenyl]sulfonylamino]succinic acid Formula: C24H28N2O8S MolecularWeight: 504.55272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2CCCC2)C(=O)OC3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)N2CCCC2)C(=O)OC3=CC=C(C=C3)S(=O)(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H28N2O8S/c1-2-20(16-5-7-17(8-6-16)26-13-3-4-14-26)24(31)34-18-9-11-19(12-10-18)35(32,33)25-21(23(29)30)15-22(27)28/h5-12,20-21,25H,2-4,13-15H2,1H3,(H,27,28)(H,29,30)