(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diethylsulfamoyl)benzoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diethylsulfamoyl)benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-3-25(4-2)31(27,28)18-10-7-16(8-11-18)21(26)29-17-9-12-19-20(15-17)30-22(23-19)24-13-5-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3