4-chloranyl-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxy-phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxy-phenyl]-3-nitro-benzamide Openeye Name: N-[3-benzyloxy-4-[methyl(methylsulfonyl)amino]phenyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-3-nitrobenzamide Traditional Name: N-[3-benzoxy-4-[mesyl(methyl)amino]phenyl]-4-chloro-3-nitro-benzamide Formula: C22H20ClN3O6S MolecularWeight: 489.9287

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H20ClN3O6S/c1-25(33(2,30)31)19-11-9-17(13-21(19)32-14-15-6-4-3-5-7-15)24-22(27)16-8-10-18(23)20(12-16)26(28)29/h3-13H,14H2,1-2H3,(H,24,27)