[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2,5-dimethoxyphenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2,5-dimethoxyphenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(2,5-dimethoxyphenyl)methanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-25-15-9-10-18(26-2)16(12-15)21(24)23-11-5-6-14(13-23)20-22-17-7-3-4-8-19(17)27-20/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3/t14-/m1/s1