methyl 4-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid methyl ester Formula: C22H17N3O5S2 MolecularWeight: 467.51748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S2/c1-30-21(27)14-7-10-16(11-8-14)23-20(26)15-9-12-18-19(13-15)31-22(24-18)25-32(28,29)17-5-3-2-4-6-17/h2-13H,1H3,(H,23,26)(H,24,25)