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

Systemtic Name: ethyl 4-[[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[benzyl-(4-fluorophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[benzyl-(4-fluorophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C23H28FNO4S MolecularWeight: 433.536123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO4S/c1-2-29-23(26)20-10-8-19(9-11-20)17-25(16-18-6-4-3-5-7-18)30(27,28)22-14-12-21(24)13-15-22/h3-7,12-15,19-20H,2,8-11,16-17H2,1H3