2-[[2-(4-cyclohexylsulfanylphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(4-cyclohexylsulfanylphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]ethanoic acid Openeye Name: 2-[[2-(4-cyclohexylsulfanylphenyl)phenyl]sulfonyl-(2-morpholinoethyl)amino]acetic acid CAS Name: 2-[[2-[4-(cyclohexylthio)phenyl]phenyl]sulfonyl-[2-(4-morpholinyl)ethyl]amino]acetic acid IUPAC Name: 2-[[2-(4-cyclohexylsulfanylphenyl)phenyl]sulfonyl-(2-morpholin-4-ylethyl)amino]acetic acid Traditional Name: 2-[[2-[4-(cyclohexylthio)phenyl]phenyl]sulfonyl-(2-morpholinoethyl)amino]acetic acid Formula: C26H34N2O5S2 MolecularWeight: 518.68856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N(CCN4CCOCC4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N(CCN4CCOCC4)CC(=O)O

InChI

InChI=1S/C26H34N2O5S2/c29-26(30)20-28(15-14-27-16-18-33-19-17-27)35(31,32)25-9-5-4-8-24(25)21-10-12-23(13-11-21)34-22-6-2-1-3-7-22/h4-5,8-13,22H,1-3,6-7,14-20H2,(H,29,30)