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

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-pentyl-ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-pentyl-acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-pentylacetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-pentylacetamide Traditional Name: N-amyl-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5S/c1-3-4-5-9-15-14(18)11-16(23(2,21)22)12-7-6-8-13(10-12)17(19)20/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,18)