N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C22H16N4O7S2 MolecularWeight: 512.51504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7S2/c1-35(32,33)18-7-8-19-20(12-18)34-22(23-19)24(13-14-5-3-2-4-6-14)21(27)15-9-16(25(28)29)11-17(10-15)26(30)31/h2-12H,13H2,1H3