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

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-tert-butylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H39NO5S MolecularWeight: 501.67796

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO5S/c1-6-34-27(30)23-11-7-21(8-12-23)19-29(20-22-9-15-25(33-5)16-10-22)35(31,32)26-17-13-24(14-18-26)28(2,3)4/h9-10,13-18,21,23H,6-8,11-12,19-20H2,1-5H3