ethyl 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(p-tolylsulfonyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-tosyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO4S/c1-3-30-24(27)21-11-9-19(10-12-21)16-26(17-20-5-4-6-22(25)15-20)31(28,29)23-13-7-18(2)8-14-23/h4-8,13-15,19,21H,3,9-12,16-17H2,1-2H3