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

Systemtic Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2,5-dimethylphenyl)sulfonyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H35NO5S MolecularWeight: 473.6248

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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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5S/c1-5-32-26(28)23-12-8-21(9-13-23)17-27(18-22-10-14-24(31-4)15-11-22)33(29,30)25-16-19(2)6-7-20(25)3/h6-7,10-11,14-16,21,23H,5,8-9,12-13,17-18H2,1-4H3