[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-[4-(diethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C24H33BrN2O5S MolecularWeight: 541.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C24H33BrN2O5S/c1-3-27(4-2)33(30,31)20-7-5-19(6-8-20)26-21(28)15-32-22(29)14-23-10-17-9-18(11-23)13-24(25,12-17)16-23/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,26,28)