[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C24H31BrN2O6S MolecularWeight: 555.48174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C24H31BrN2O6S/c25-24-12-17-9-18(13-24)11-23(10-17,16-24)14-22(29)33-15-21(28)26-19-1-3-20(4-2-19)34(30,31)27-5-7-32-8-6-27/h1-4,17-18H,5-16H2,(H,26,28)