2-[(4-methylsulfonylphenyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-methylsulfonylphenyl)amino]-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-methylsulfonylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(4-methylsulfonylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(4-methylsulfonylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-mesylanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C18H13N5O5S3 MolecularWeight: 475.52132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O5S3/c1-31(27,28)12-5-2-10(3-6-12)19-17-21-14(9-29-17)16(24)22-18-20-13-7-4-11(23(25)26)8-15(13)30-18/h2-9H,1H3,(H,19,21)(H,20,22,24)