1,3-benzothiazol-2-ylmethyl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-bromo-5-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-bromo-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-pyrrolidinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17BrN2O4S2 MolecularWeight: 481.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17BrN2O4S2/c20-15-8-7-13(28(24,25)22-9-3-4-10-22)11-14(15)19(23)26-12-18-21-16-5-1-2-6-17(16)27-18/h1-2,5-8,11H,3-4,9-10,12H2