5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-2-bromanyl-benzoate

Systemtic Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-2-bromanyl-benzoate Openeye Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-2-bromo-benzoate CAS Name: 5-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]-2-bromobenzoate IUPAC Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-2-bromobenzoate Traditional Name: 5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonyl-2-bromo-benzoate Formula: C18H14BrN2O4S2- MolecularWeight: 466.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15BrN2O4S2/c19-13-8-7-11(10-12(13)18(22)23)27(24,25)21-9-3-5-15(21)17-20-14-4-1-2-6-16(14)26-17/h1-2,4,6-8,10,15H,3,5,9H2,(H,22,23)/p-1/t15-/m0/s1