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

Systemtic Name: 2-[(3S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-3-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)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S2/c1-25-16-9-8-14(20)11-18(16)27(23,24)22-10-4-5-13(12-22)19-21-15-6-2-3-7-17(15)26-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m0/s1