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

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-(4-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=CC=CC2=C1N=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=CC=CC2=C1N=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)19-9-5-8-18-20(19)23-22(34-18)24(13-14-6-3-2-4-7-14)21(27)15-10-16(25(28)29)12-17(11-15)26(30)31/h2-12H,13H2,1H3