2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(4-pyridylmethyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(4-pyridylmethyl)acetamide Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=NC=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5S/c1-25(23,24)18(13-3-2-4-14(9-13)19(21)22)11-15(20)17-10-12-5-7-16-8-6-12/h2-9H,10-11H2,1H3,(H,17,20)