2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoic acid Openeye Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-pyridylmethylsulfanyl)butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(3-pyridinylmethylthio)butanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(pyridin-3-ylmethylsulfanyl)butanoic acid Traditional Name: 2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-4-(3-pyridylmethylthio)butyric acid Formula: C21H28N2O5S2 MolecularWeight: 452.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCSCC1=CN=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C(CCSCC1=CN=CC=C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O5S2/c1-16(2)14-23(30(26,27)19-8-6-18(28-3)7-9-19)20(21(24)25)10-12-29-15-17-5-4-11-22-13-17/h4-9,11,13,16,20H,10,12,14-15H2,1-3H3,(H,24,25)