[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O5S/c1-3-27(4-2)33(30,31)22-8-5-18(6-9-22)7-10-24(29)32-17-23(28)26-25-14-19-11-20(15-25)13-21(12-19)16-25/h5-10,19-21H,3-4,11-17H2,1-2H3,(H,26,28)/b10-7+