N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-homoveratryl-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N2O5S/c1-18-4-11-22(12-5-18)33(29,30)27-17-20-6-9-21(10-7-20)25(28)26-15-14-19-8-13-23(31-2)24(16-19)32-3/h4-5,8,11-13,16,20-21,27H,6-7,9-10,14-15,17H2,1-3H3,(H,26,28)