2-[(2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-2-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole Formula: C19H19BrN2O3S2 MolecularWeight: 467.39976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S2/c1-25-16-10-9-13(20)12-18(16)27(23,24)22-11-5-4-7-15(22)19-21-14-6-2-3-8-17(14)26-19/h2-3,6,8-10,12,15H,4-5,7,11H2,1H3/t15-/m0/s1