ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-bromophenyl)sulfonyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[brosyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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