ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2,5-dimethylphenyl)sulfonyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H35NO4S/c1-5-31-26(28)23-14-12-22(13-15-23)17-27(18-24-9-7-6-8-20(24)3)32(29,30)25-16-19(2)10-11-21(25)4/h6-11,16,22-23H,5,12-15,17-18H2,1-4H3