[2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-22(2)20-21-17-10-7-15(13-18(17)28-20)27-19(24)14-5-8-16(9-6-14)29(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3