2-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-tosyl-acetamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-10-2-5-12(6-3-10)26(23,24)9-15(20)18-16-17-13-7-4-11(19(21)22)8-14(13)25-16/h2-8H,9H2,1H3,(H,17,18,20)