ethyl 4-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-(p-tolylsulfonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-chlorobenzyl)-tosyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30ClNO4S MolecularWeight: 464.0173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30ClNO4S/c1-3-30-24(27)20-12-10-19(11-13-20)16-26(17-21-6-4-5-7-23(21)25)31(28,29)22-14-8-18(2)9-15-22/h4-9,14-15,19-20H,3,10-13,16-17H2,1-2H3