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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C27H38N2O5S/c1-4-33-25-15-10-21(18-26(25)34-5-2)16-17-28-27(30)23-11-8-22(9-12-23)19-29-35(31,32)24-13-6-20(3)7-14-24/h6-7,10,13-15,18,22-23,29H,4-5,8-9,11-12,16-17,19H2,1-3H3,(H,28,30)