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

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-(4-fluorophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H27BrFNO4S MolecularWeight: 512.432183

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrFNO4S/c1-2-30-23(27)19-8-6-17(7-9-19)15-26(16-18-4-3-5-20(24)14-18)31(28,29)22-12-10-21(25)11-13-22/h3-5,10-14,17,19H,2,6-9,15-16H2,1H3