[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(m-tolylsulfamoyl)benzoate CAS Name: 3-[(3-methylphenyl)sulfamoyl]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-(m-tolylsulfamoyl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O6S/c1-17-4-2-6-22(8-17)30-37(34,35)23-7-3-5-21(12-23)25(32)36-16-24(31)28-26(33)29-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,18-20,30H,9-11,13-16H2,1H3,(H2,28,29,31,33)