4-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]ethyl]amino]butanoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]ethyl]amino]butanoic acid Openeye Name: 4-[2-[(4-hydroxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]ethyl-(p-tolylsulfonyl)amino]butanoic acid CAS Name: 4-[2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[2-[(4-hydroxy-4-keto-butyl)-tosyl-amino]ethyl-tosyl-amino]butyric acid Formula: C24H32N2O8S2 MolecularWeight: 540.64948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O8S2/c1-19-7-11-21(12-8-19)35(31,32)25(15-3-5-23(27)28)17-18-26(16-4-6-24(29)30)36(33,34)22-13-9-20(2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H,27,28)(H,29,30)