4-[[(4-bromophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-bromophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-bromophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-bromophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-bromophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[brosyl-(4-fluorobenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C21H23BrFNO4S MolecularWeight: 484.379023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H23BrFNO4S/c22-18-7-11-20(12-8-18)29(27,28)24(14-16-3-9-19(23)10-4-16)13-15-1-5-17(6-2-15)21(25)26/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,25,26)