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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-bromanyl-5-methoxy-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-bromo-5-methoxy-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2-bromo-5-methoxyphenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-bromo-5-methoxy-phenyl)methanone Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2S/c1-25-14-8-9-16(21)15(11-14)20(24)23-10-4-5-13(12-23)19-22-17-6-2-3-7-18(17)26-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m0/s1