[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C20H24ClNO5S/c1-11(18(23)20-8-12-4-13(9-20)6-14(5-12)10-20)27-19(24)15-2-3-16(21)17(7-15)28(22,25)26/h2-3,7,11-14H,4-6,8-10H2,1H3,(H2,22,25,26)