2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[3-nitro-N-(p-tolylsulfonyl)anilino]-N-(3-pyridyl)acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-(3-pyridinyl)acetamide IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide Traditional Name: 2-(3-nitro-N-tosyl-anilino)-N-(3-pyridyl)acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-15-7-9-19(10-8-15)30(28,29)23(17-5-2-6-18(12-17)24(26)27)14-20(25)22-16-4-3-11-21-13-16/h2-13H,14H2,1H3,(H,22,25)