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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S2/c22-16-8-7-13(28(24,25)21-9-3-4-10-21)11-14(16)19(23)26-12-18-20-15-5-1-2-6-17(15)27-18/h1-2,5-8,11,22H,3-4,9-10,12H2