1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-4-(2-thienyl)butan-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCC2=CC=CS2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCC2=CC=CS2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H26N2O3S/c24-21(7-1-5-18-6-3-13-27-18)23-10-2-4-17(15-23)22-16-8-9-19-20(14-16)26-12-11-25-19/h3,6,8-9,13-14,17,22H,1-2,4-5,7,10-12,15H2/t17-/m0/s1