4-[[(4-acetamidophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-(4-chlorobenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-16(27)25-21-10-12-22(13-11-21)32(30,31)26(15-18-4-8-20(24)9-5-18)14-17-2-6-19(7-3-17)23(28)29/h4-5,8-13,17,19H,2-3,6-7,14-15H2,1H3,(H,25,27)(H,28,29)