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

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cyclohexanecarboxylic acid CAS Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(4-chlorophenyl)sulfonyl-(4-cyanobenzyl)amino]cyclohexanecarboxylic acid Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C(C1)C(=O)O)N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4S/c22-17-9-11-18(12-10-17)29(27,28)24(14-16-7-5-15(13-23)6-8-16)20-4-2-1-3-19(20)21(25)26/h5-12,19-20H,1-4,14H2,(H,25,26)