2-[2-methyl-4-(2-piperazin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-(2-piperazin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-(2-piperazin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[2-(1-piperazinyl)ethylsulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-(2-piperazin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(2-piperazinoethylsulfamoyl)phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCN2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCN2CCNCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C27H38N4O4S/c1-21-20-24(36(34,35)29-14-19-30-17-12-28-13-18-30)9-11-25(21)26(27(32)33)10-6-22-4-7-23(8-5-22)31-15-2-3-16-31/h4-5,7-9,11,20,26,28-29H,2-3,6,10,12-19H2,1H3,(H,32,33)