[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27BrN2O5S MolecularWeight: 499.41848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CNS(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CNS(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H27BrN2O5S/c22-17-2-1-3-18(7-17)30(27,28)24-11-20(26)29-12-19(25)23-13-21-8-14-4-15(9-21)6-16(5-14)10-21/h1-3,7,14-16,24H,4-6,8-13H2,(H,23,25)