ethyl 2-[[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[4-[ethyl-(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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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)NC3=NC4=C(S3)C=C(C=C4)C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OCC

InChI

InChI=1S/C26H25N3O5S2/c1-3-29(17-18-8-6-5-7-9-18)36(32,33)21-13-10-19(11-14-21)24(30)28-26-27-22-15-12-20(16-23(22)35-26)25(31)34-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,28,30)