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

Systemtic Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[brosyl-(2-chlorobenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H27BrClNO4S MolecularWeight: 528.88678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H27BrClNO4S/c1-2-30-23(27)18-9-7-17(8-10-18)15-26(16-19-5-3-4-6-22(19)25)31(28,29)21-13-11-20(24)12-14-21/h3-6,11-14,17-18H,2,7-10,15-16H2,1H3