N-[4-methoxy-3-(phenylmethyl)phenyl]-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-4-mesyl-3-nitro-benzamide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-30-20-10-9-18(13-17(20)12-15-6-4-3-5-7-15)23-22(25)16-8-11-21(31(2,28)29)19(14-16)24(26)27/h3-11,13-14H,12H2,1-2H3,(H,23,25)