3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S2/c1-9-7-10(3-6-13(9)19(21)22)15(20)18-16-17-12-5-4-11(26(2,23)24)8-14(12)25-16/h3-8H,1-2H3,(H,17,18,20)