[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[1-(1-adamantyl)ethylsulfamoyl]benzoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[1-(1-adamantyl)ethylsulfamoyl]benzoate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 3-[1-(1-adamantyl)ethylsulfamoyl]benzoate CAS Name: 3-[1-(1-adamantyl)ethylsulfamoyl]benzoic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-[1-(1-adamantyl)ethylsulfamoyl]benzoate Traditional Name: 3-[1-(1-adamantyl)ethylsulfamoyl]benzoic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C30H36N2O6S MolecularWeight: 552.68164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H36N2O6S/c1-18(33)24-7-9-26(10-8-24)31-28(34)19(2)38-29(35)25-5-4-6-27(14-25)39(36,37)32-20(3)30-15-21-11-22(16-30)13-23(12-21)17-30/h4-10,14,19-23,32H,11-13,15-17H2,1-3H3,(H,31,34)