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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-5-9-16-27(8-4)33(29,30)20-13-10-18(11-14-20)23(28)31-19-12-15-21-22(17-19)32-24(25-21)26(6-2)7-3/h10-15,17H,5-9,16H2,1-4H3