2-[4-[bis(2-azanylethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[bis(2-azanylethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[bis(2-aminoethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[bis(2-aminoethyl)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[bis(2-aminoethyl)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[bis(2-aminoethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H36N4O4S MolecularWeight: 488.64274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCN)CCN)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCN)CCN)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C25H36N4O4S/c1-19-18-22(34(32,33)29(16-12-26)17-13-27)9-11-23(19)24(25(30)31)10-6-20-4-7-21(8-5-20)28-14-2-3-15-28/h4-5,7-9,11,18,24H,2-3,6,10,12-17,26-27H2,1H3,(H,30,31)