2-methyl-N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-methyl-N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-methyl-N-[3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-3-oxo-propyl]benzamide CAS Name: 2-methyl-N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]benzamide IUPAC Name: 2-methyl-N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[2-(4-mesyl-2-nitro-anilino)ethylamino]propyl]-2-methyl-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-14-5-3-4-6-16(14)20(26)23-10-9-19(25)22-12-11-21-17-8-7-15(31(2,29)30)13-18(17)24(27)28/h3-8,13,21H,9-12H2,1-2H3,(H,22,25)(H,23,26)