1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-2-(4-pyridylthio)ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=NC=C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CSC2=CC=NC=C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O3S/c24-20(14-27-17-5-7-21-8-6-17)23-9-1-2-16(13-23)22-15-3-4-18-19(12-15)26-11-10-25-18/h3-8,12,16,22H,1-2,9-11,13-14H2/t16-/m0/s1