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

Systemtic Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-2-(phenylthio)ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c24-21(15-27-18-6-2-1-3-7-18)23-10-4-5-17(14-23)22-16-8-9-19-20(13-16)26-12-11-25-19/h1-3,6-9,13,17,22H,4-5,10-12,14-15H2/t17-/m0/s1