1,3-benzothiazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S2/c22-19(25-13-18-20-16-8-1-2-9-17(16)26-18)14-6-5-7-15(12-14)27(23,24)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13H2