N-butyl-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-butyl-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-butyl-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-butyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-butyl-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-butyl-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H19N3O5S/c1-3-4-8-14-13(17)10-15(22(2,20)21)11-6-5-7-12(9-11)16(18)19/h5-7,9H,3-4,8,10H2,1-2H3,(H,14,17)