2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-(2-pyridylmethyl)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(2-pyridylmethyl)acetamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C16H18N4O5S/c1-12-6-7-14(20(22)23)9-15(12)19(26(2,24)25)11-16(21)18-10-13-5-3-4-8-17-13/h3-9H,10-11H2,1-2H3,(H,18,21)