2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(3-pyridylmethyl)acetamide Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H18N4O6S/c1-26-15-6-5-13(20(22)23)8-14(15)19(27(2,24)25)11-16(21)18-10-12-4-3-7-17-9-12/h3-9H,10-11H2,1-2H3,(H,18,21)