ethyl 4-[[(4-chlorophenyl)methyl-(4-cyclohexylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-cyclohexylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-cyclohexylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-chlorophenyl)methyl-(4-cyclohexylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)methyl-(4-cyclohexylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-(4-cyclohexylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C29H38ClNO4S MolecularWeight: 532.13432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C29H38ClNO4S/c1-2-35-29(32)26-12-8-22(9-13-26)20-31(21-23-10-16-27(30)17-11-23)36(33,34)28-18-14-25(15-19-28)24-6-4-3-5-7-24/h10-11,14-19,22,24,26H,2-9,12-13,20-21H2,1H3