ethyl 1-[[butylsulfonyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[[butylsulfonyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[butylsulfonyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 1-[[butylsulfonyl-[(3-cyano-4-phenylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[butylsulfonyl-[(3-cyano-4-phenylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[butylsulfonyl-(3-cyano-4-phenyl-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=C2)C#N)CC3(CCCCC3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4S/c1-3-5-18-35(32,33)30(22-28(27(31)34-4-2)16-10-7-11-17-28)21-23-14-15-26(25(19-23)20-29)24-12-8-6-9-13-24/h6,8-9,12-15,19H,3-5,7,10-11,16-18,21-22H2,1-2H3