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

Systemtic Name: 2-(2-methyl-4-piperazin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(2-methyl-4-piperazin-1-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-(1-piperazinylsulfonyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-(2-methyl-4-piperazin-1-ylsulfonylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(2-methyl-4-piperazinosulfonyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H33N3O4S/c1-19-18-22(33(31,32)28-16-12-26-13-17-28)9-11-23(19)24(25(29)30)10-6-20-4-7-21(8-5-20)27-14-2-3-15-27/h4-5,7-9,11,18,24,26H,2-3,6,10,12-17H2,1H3,(H,29,30)