1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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