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

Systemtic Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H29BrFNO4S MolecularWeight: 526.458763

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrFNO4S/c1-3-31-24(28)20-9-7-18(8-10-20)15-27(16-19-5-4-6-21(25)14-19)32(29,30)22-11-12-23(26)17(2)13-22/h4-6,11-14,18,20H,3,7-10,15-16H2,1-2H3