[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31NO5S/c1-14-3-6-20(31(28,29)25-19-4-5-19)10-21(14)23(27)30-15(2)22(26)24-11-16-7-17(12-24)9-18(8-16)13-24/h3,6,10,15-19,25H,4-5,7-9,11-13H2,1-2H3