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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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