[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O7S/c1-30-16-3-2-15(7-17(16)32(22,28)29)19(26)31-11-18(25)23-20(27)24-21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,22,28,29)(H2,23,24,25,27)