ethyl 4-[[(2-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(2-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[o-tolylmethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[mesitylsulfonyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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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=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C27H37NO4S/c1-6-32-27(29)24-13-11-23(12-14-24)17-28(18-25-10-8-7-9-20(25)3)33(30,31)26-21(4)15-19(2)16-22(26)5/h7-10,15-16,23-24H,6,11-14,17-18H2,1-5H3