ethyl 1-[[butylsulfonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[[butylsulfonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[butylsulfonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 1-[[butylsulfonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[butylsulfonyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[butylsulfonyl-[4-(2-cyanophenyl)benzyl]amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCCC3)C(=O)OCC

Isomeric SMILES

CCCCS(=O)(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCCC3)C(=O)OCC

InChI

InChI=1S/C28H36N2O4S/c1-3-5-19-35(32,33)30(22-28(27(31)34-4-2)17-9-6-10-18-28)21-23-13-15-24(16-14-23)26-12-8-7-11-25(26)20-29/h7-8,11-16H,3-6,9-10,17-19,21-22H2,1-2H3