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

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C22H17N3O5S2 MolecularWeight: 467.51748

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S2/c1-32(29,30)19-9-5-8-18-20(19)23-22(31-18)24(14-15-6-3-2-4-7-15)21(26)16-10-12-17(13-11-16)25(27)28/h2-13H,14H2,1H3