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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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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(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S2/c1-5-8-15-25(4)32(28,29)19-12-9-17(10-13-19)22(27)30-18-11-14-20-21(16-18)31-23(24-20)26(6-2)7-3/h9-14,16H,5-8,15H2,1-4H3