ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[benzyl-(4-tert-butylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(4-tert-butylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[benzyl-(4-tert-butylphenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO4S/c1-5-32-26(29)23-13-11-22(12-14-23)20-28(19-21-9-7-6-8-10-21)33(30,31)25-17-15-24(16-18-25)27(2,3)4/h6-10,15-18,22-23H,5,11-14,19-20H2,1-4H3