1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H24N2O3S/c1-26-18-10-9-15(12-19(18)27-2)13-21(25)24-11-5-6-16(14-24)22-23-17-7-3-4-8-20(17)28-22/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m1/s1