N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(2-furanylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C20H14N4O8S2 MolecularWeight: 502.47716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O8S2/c1-34(30,31)17-6-2-5-16-18(17)21-20(33-16)22(11-15-4-3-7-32-15)19(25)12-8-13(23(26)27)10-14(9-12)24(28)29/h2-10H,11H2,1H3