N-(2-fluoranyl-5-methylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(2-fluoranyl-5-methylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(2-fluoro-5-methylsulfonyl-phenyl)-3-(2-nitroanilino)propanamide CAS Name: N-(2-fluoro-5-methylsulfonylphenyl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(2-fluoro-5-methylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(2-fluoro-5-mesyl-phenyl)-3-(2-nitroanilino)propionamide Formula: C16H16FN3O5S MolecularWeight: 381.378743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H16FN3O5S/c1-26(24,25)11-6-7-12(17)14(10-11)19-16(21)8-9-18-13-4-2-3-5-15(13)20(22)23/h2-7,10,18H,8-9H2,1H3,(H,19,21)