ethyl 4-[[(4-chlorophenyl)methyl-(2,5-dimethylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-chlorophenyl)methyl-(2,5-dimethylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-chlorophenyl)methyl-(2,5-dimethylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-chlorophenyl)methyl-(2,5-dimethylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chlorophenyl)methyl-(2,5-dimethylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-(2,5-dimethylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H32ClNO4S MolecularWeight: 478.04388

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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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClNO4S/c1-4-31-25(28)22-11-7-20(8-12-22)16-27(17-21-9-13-23(26)14-10-21)32(29,30)24-15-18(2)5-6-19(24)3/h5-6,9-10,13-15,20,22H,4,7-8,11-12,16-17H2,1-3H3