[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H29ClFNO5S MolecularWeight: 546.049963

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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)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C=CCN(C1=CC=C(C=C1)F)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C28H29ClFNO5S/c1-2-9-31(23-6-4-22(30)5-7-23)37(34,35)25-13-21(3-8-24(25)29)27(33)36-17-26(32)28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,18-20H,1,9-12,14-17H2