2-[(2S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C19H19BrN2O4S2 MolecularWeight: 483.39916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19BrN2O4S2/c1-25-15-10-12(20)18(11-16(15)26-2)28(23,24)22-9-5-7-14(22)19-21-13-6-3-4-8-17(13)27-19/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3/t14-/m0/s1