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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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