N-(2-fluoranyl-5-nitro-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(2-fluoro-5-nitrophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-3-(tosylamino)propionamide Formula: C16H16FN3O5S MolecularWeight: 381.378743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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