N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-mesyl-3-nitro-benzamide Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S2/c1-25(22,23)13-7-6-9(8-11(13)18(20)21)14(19)17-15-16-10-4-2-3-5-12(10)24-15/h2-8H,1H3,(H,16,17,19)