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

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3,5-dimethoxyphenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [(2S)-2-(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)N2CCCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-15-11-14(12-16(13-15)26-2)21(24)23-10-6-5-8-18(23)20-22-17-7-3-4-9-19(17)27-20/h3-4,7,9,11-13,18H,5-6,8,10H2,1-2H3/t18-/m0/s1