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

Systemtic Name: 1-benzothiophen-2-yl-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]methanone CAS Name: 1-benzothiophen-2-yl-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]methanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3S2)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=CC=CC=C3S2)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N2O3S/c25-22(21-12-15-4-1-2-6-20(15)28-21)24-9-3-5-17(14-24)23-16-7-8-18-19(13-16)27-11-10-26-18/h1-2,4,6-8,12-13,17,23H,3,5,9-11,14H2/t17-/m0/s1