[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [(3R)-3-(1,3-benzodioxol-5-ylamino)-1-piperidyl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [(3R)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [(3R)-3-(1,3-benzodioxol-5-ylamino)piperidino]-[2-(methylthio)-3-pyridyl]methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCC[C@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O3S/c1-26-18-15(5-2-8-20-18)19(23)22-9-3-4-14(11-22)21-13-6-7-16-17(10-13)25-12-24-16/h2,5-8,10,14,21H,3-4,9,11-12H2,1H3/t14-/m1/s1