1,3-benzothiazol-2-ylmethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O4S2/c1-23(2)30(26,27)15-9-10-18(24-11-5-6-12-24)16(13-15)21(25)28-14-20-22-17-7-3-4-8-19(17)29-20/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3