[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-bromo-3,5-dimethoxy-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-bromo-3,5-dimethoxyphenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromo-3,5-dimethoxyphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-bromo-3,5-dimethoxy-phenyl)methanone Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21BrN2O3S/c1-26-16-10-14(11-17(27-2)19(16)22)21(25)24-9-5-6-13(12-24)20-23-15-7-3-4-8-18(15)28-20/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3/t13-/m0/s1