2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]amino]cyclohexanecarboxylic acid CAS Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(4-chlorophenyl)sulfonyl-[4-(1-hydroxy-1-methyl-ethyl)benzyl]amino]cyclohexanecarboxylic acid Formula: C23H28ClNO5S MolecularWeight: 465.99012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CN(C2CCCCC2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CN(C2CCCCC2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H28ClNO5S/c1-23(2,28)17-9-7-16(8-10-17)15-25(21-6-4-3-5-20(21)22(26)27)31(29,30)19-13-11-18(24)12-14-19/h7-14,20-21,28H,3-6,15H2,1-2H3,(H,26,27)