[(1S)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H21ClFNO5S MolecularWeight: 465.922243

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCCCC3=O)Cl

Isomeric SMILES

C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@H]3CCCCC3=O)Cl

InChI

InChI=1S/C22H21ClFNO5S/c1-2-13-25(17-10-8-16(24)9-11-17)31(28,29)21-14-15(7-12-18(21)23)22(27)30-20-6-4-3-5-19(20)26/h2,7-12,14,20H,1,3-6,13H2/t20-/m0/s1