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

Systemtic Name: 2-[(4-cyclohexylsulfanylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]ethanoic acid Openeye Name: 2-[(4-cyclohexylsulfanylphenyl)sulfonyl-(2-morpholinoethyl)amino]acetic acid CAS Name: 2-[[4-(cyclohexylthio)phenyl]sulfonyl-[2-(4-morpholinyl)ethyl]amino]acetic acid IUPAC Name: 2-[(4-cyclohexylsulfanylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]acetic acid Traditional Name: 2-[[4-(cyclohexylthio)phenyl]sulfonyl-(2-morpholinoethyl)amino]acetic acid Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)CC(=O)O

InChI

InChI=1S/C20H30N2O5S2/c23-20(24)16-22(11-10-21-12-14-27-15-13-21)29(25,26)19-8-6-18(7-9-19)28-17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,23,24)