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

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

InChI

InChI=1S/C25H25N3O4S2/c1-4-28(17-18-8-6-5-7-9-18)34(30,31)21-13-10-19(11-14-21)24(29)32-20-12-15-22-23(16-20)33-25(26-22)27(2)3/h5-16H,4,17H2,1-3H3