N-[(4-ethoxyphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-(4-ethoxybenzyl)-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H21N3O6S/c1-3-27-17-9-7-14(8-10-17)12-19-18(22)13-20(28(2,25)26)15-5-4-6-16(11-15)21(23)24/h4-11H,3,12-13H2,1-2H3,(H,19,22)