5-[[3-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 5-[[3-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]pentanoic acid Openeye Name: 5-[[3-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]pentanoic acid CAS Name: 5-[[3-methyl-4-[1-oxo-2-[4-(1-pyrrolidinyl)phenyl]butoxy]phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-[[3-methyl-4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-[[3-methyl-4-[2-(4-pyrrolidinophenyl)butanoyloxy]phenyl]sulfonylamino]valeric acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O6S/c1-3-23(20-9-11-21(12-10-20)28-16-6-7-17-28)26(31)34-24-14-13-22(18-19(24)2)35(32,33)27-15-5-4-8-25(29)30/h9-14,18,23,27H,3-8,15-17H2,1-2H3,(H,29,30)