1-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(4-mesyl-2-nitro-anilino)ethylamino]-3-nitro-phenyl]ethanone Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-11(22)12-3-5-14(16(9-12)20(23)24)18-7-8-19-15-6-4-13(29(2,27)28)10-17(15)21(25)26/h3-6,9-10,18-19H,7-8H2,1-2H3