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

Systemtic Name: 2-[(2S)-1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(5-bromo-2-ethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(5-bromo-2-ethoxy-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C19H19BrN2O3S2 MolecularWeight: 467.39976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19BrN2O3S2/c1-2-25-16-10-9-13(20)12-18(16)27(23,24)22-11-5-7-15(22)19-21-14-6-3-4-8-17(14)26-19/h3-4,6,8-10,12,15H,2,5,7,11H2,1H3/t15-/m0/s1