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

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-tert-butylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO4S/c1-6-33-27(30)23-13-11-22(12-14-23)19-29(20-24-10-8-7-9-21(24)2)34(31,32)26-17-15-25(16-18-26)28(3,4)5/h7-10,15-18,22-23H,6,11-14,19-20H2,1-5H3