2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C22H21N5O6S MolecularWeight: 483.49704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c1-34(32,33)26(17-7-4-8-18(12-17)27(30)31)15-21(28)25-20-10-3-2-9-19(20)22(29)24-14-16-6-5-11-23-13-16/h2-13H,14-15H2,1H3,(H,24,29)(H,25,28)