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

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(3-chlorophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(3-chlorophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(3-chlorophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(3-chlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-(3-chlorophenyl)sulfonyl-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=C2)Br)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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