[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diethylsulfamoyl)benzoate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diethylsulfamoyl)benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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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)N4CCN(CC4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C

InChI

InChI=1S/C23H28N4O4S2/c1-4-27(5-2)33(29,30)19-9-6-17(7-10-19)22(28)31-18-8-11-20-21(16-18)32-23(24-20)26-14-12-25(3)13-15-26/h6-11,16H,4-5,12-15H2,1-3H3