2-[4-[5-azanylpentyl(carboxy)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[5-azanylpentyl(carboxy)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[5-aminopentyl(carboxy)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[5-aminopentyl(carboxy)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[5-aminopentyl(carboxy)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[5-aminopentyl(carboxy)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O6S/c1-20-19-23(37(35,36)30(27(33)34)18-4-2-3-15-28)12-14-24(20)25(26(31)32)13-9-21-7-10-22(11-8-21)29-16-5-6-17-29/h7-8,10-12,14,19,25H,2-6,9,13,15-18,28H2,1H3,(H,31,32)(H,33,34)