2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C19H23N3O8S MolecularWeight: 453.46622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H23N3O8S/c1-28-16-8-13(9-17(29-2)19(16)30-3)11-20-18(23)12-21(31(4,26)27)14-6-5-7-15(10-14)22(24)25/h5-10H,11-12H2,1-4H3,(H,20,23)