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

Systemtic Name: 3-methyl-2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[1-oxo-2-[4-(1-pyrrolidinyl)phenyl]butoxy]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[2-(4-pyrrolidin-1-ylphenyl)butanoyloxy]phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[2-(4-pyrrolidinophenyl)butanoyloxy]phenyl]sulfonylamino]butyric acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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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(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-4-22(18-7-9-19(10-8-18)27-15-5-6-16-27)25(30)33-20-11-13-21(14-12-20)34(31,32)26-23(17(2)3)24(28)29/h7-14,17,22-23,26H,4-6,15-16H2,1-3H3,(H,28,29)