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

Systemtic Name: 4-imidazol-1-yl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C18H13N5O5S2 MolecularWeight: 443.45632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O5S2/c1-30(27,28)12-3-4-13-16(9-12)29-18(20-13)21-17(24)11-2-5-14(15(8-11)23(25)26)22-7-6-19-10-22/h2-10H,1H3,(H,20,21,24)