2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonyl-amino]cyclohexanecarboxylic acid CAS Name: 2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(4-tert-butylphenyl)methyl-(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(4-tert-butylbenzyl)-(4-chlorophenyl)sulfonyl-amino]cyclohexanecarboxylic acid Formula: C24H30ClNO4S MolecularWeight: 464.0173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClNO4S/c1-24(2,3)18-10-8-17(9-11-18)16-26(22-7-5-4-6-21(22)23(27)28)31(29,30)20-14-12-19(25)13-15-20/h8-15,21-22H,4-7,16H2,1-3H3,(H,27,28)