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

Systemtic Name: 2-[(2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C18H17BrN2O3S2 MolecularWeight: 453.37318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17BrN2O3S2/c1-24-15-9-8-12(19)11-17(15)26(22,23)21-10-4-6-14(21)18-20-13-5-2-3-7-16(13)25-18/h2-3,5,7-9,11,14H,4,6,10H2,1H3/t14-/m0/s1