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

Systemtic Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[brosyl-(4-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=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrClNO4S/c1-2-30-23(27)19-7-3-17(4-8-19)15-26(16-18-5-11-21(25)12-6-18)31(28,29)22-13-9-20(24)10-14-22/h5-6,9-14,17,19H,2-4,7-8,15-16H2,1H3