2-[4-[1-oxidanyl-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[1-oxidanyl-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethanoic acid Openeye Name: 2-[4-[1-hydroxy-4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]cyclohexyl]phenyl]acetic acid CAS Name: 2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid IUPAC Name: 2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid Traditional Name: 2-[4-[1-hydroxy-4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]cyclohexyl]phenyl]acetic acid Formula: C20H31NO5S MolecularWeight: 397.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)(C2=CC=C(C=C2)CC(=O)O)O

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)(C2=CC=C(C=C2)CC(=O)O)O

InChI

InChI=1S/C20H31NO5S/c1-14(2)27(25,26)21-13-15(3)17-8-10-20(24,11-9-17)18-6-4-16(5-7-18)12-19(22)23/h4-7,14-15,17,21,24H,8-13H2,1-3H3,(H,22,23)