4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]butanoic acid CAS Name: 4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(4-chlorobenzyl)-tosyl-amino]butyric acid Formula: C18H20ClNO4S MolecularWeight: 381.8737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO4S/c1-14-4-10-17(11-5-14)25(23,24)20(12-2-3-18(21)22)13-15-6-8-16(19)9-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,22)