[2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-5-6-13-24(4)30(26,27)17-10-7-15(8-11-17)20(25)28-16-9-12-18-19(14-16)29-21(22-18)23(2)3/h7-12,14H,5-6,13H2,1-4H3