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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[butyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-5-7-14-25(6-2)31(27,28)18-11-8-16(9-12-18)21(26)29-17-10-13-19-20(15-17)30-22(23-19)24(3)4/h8-13,15H,5-7,14H2,1-4H3