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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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