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

Systemtic Name: ethyl 4-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-methoxyphenyl)methyl-(p-tolylsulfonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[p-anisyl(tosyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H33NO5S/c1-4-31-25(27)22-11-7-20(8-12-22)17-26(18-21-9-13-23(30-3)14-10-21)32(28,29)24-15-5-19(2)6-16-24/h5-6,9-10,13-16,20,22H,4,7-8,11-12,17-18H2,1-3H3