2-(2-ethyl-4-piperazin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-(2-ethyl-4-piperazin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(2-ethyl-4-piperazin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-ethyl-4-(1-piperazinylsulfonyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-(2-ethyl-4-piperazin-1-ylsulfonylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(2-ethyl-4-piperazinosulfonyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C26H35N3O4S/c1-2-21-19-23(34(32,33)29-17-13-27-14-18-29)10-12-24(21)25(26(30)31)11-7-20-5-8-22(9-6-20)28-15-3-4-16-28/h5-6,8-10,12,19,25,27H,2-4,7,11,13-18H2,1H3,(H,30,31)