sulfinamoyl 2-azanyl-2-[2-(quinolin-8-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate

Systemtic Name: sulfinamoyl 2-azanyl-2-[2-(quinolin-8-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate Openeye Name: sulfinamoyl 2-amino-2-[2-(8-quinolylmethylamino)-3-pyridyl]piperidine-1-carboxylate CAS Name: 2-amino-2-[2-(8-quinolinylmethylamino)-3-pyridinyl]-1-piperidinecarboxylic acid sulfinamoyl ester IUPAC Name: sulfinamoyl 2-amino-2-[2-(quinolin-8-ylmethylamino)pyridin-3-yl]piperidine-1-carboxylate Traditional Name: 2-amino-2-[2-(8-quinolylmethylamino)-3-pyridyl]piperidine-1-carboxylic acid sulfinamoyl ester Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=C(N=CC=C2)NCC3=CC=CC4=C3N=CC=C4)N)C(=O)OS(=O)N

Isomeric SMILES

C1CCN(C(C1)(C2=C(N=CC=C2)NCC3=CC=CC4=C3N=CC=C4)N)C(=O)OS(=O)N

InChI

InChI=1S/C21H24N6O3S/c22-21(10-1-2-13-27(21)20(28)30-31(23)29)17-9-5-12-25-19(17)26-14-16-7-3-6-15-8-4-11-24-18(15)16/h3-9,11-12H,1-2,10,13-14,22-23H2,(H,25,26)