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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(3-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[(3-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(3-cyanophenyl)sulfonylamino]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-cyanophenyl)sulfonylamino]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CNS(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CNS(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H27N3O5S/c23-11-15-2-1-3-19(7-15)31(28,29)25-12-21(27)30-13-20(26)24-14-22-8-16-4-17(9-22)6-18(5-16)10-22/h1-3,7,16-18,25H,4-6,8-10,12-14H2,(H,24,26)