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

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-furanylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O6S2/c1-31(27,28)17-9-3-8-16-18(17)21-20(30-16)22(12-15-7-4-10-29-15)19(24)13-5-2-6-14(11-13)23(25)26/h2-11H,12H2,1H3