[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)NC5CC5

InChI

InChI=1S/C23H30N2O6S/c1-30-19-5-2-17(9-20(19)32(28,29)25-18-3-4-18)22(27)31-13-21(26)24-23-10-14-6-15(11-23)8-16(7-14)12-23/h2,5,9,14-16,18,25H,3-4,6-8,10-13H2,1H3,(H,24,26)