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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-25-16-10-15(11-17(12-16)26-2)21(24)23-9-5-6-14(13-23)20-22-18-7-3-4-8-19(18)27-20/h3-4,7-8,10-12,14H,5-6,9,13H2,1-2H3/t14-/m0/s1