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

Systemtic Name: N-[2-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(4-mesyl-2-nitro-anilino)ethylamino]ethyl]-3-nitro-benzamide Formula: C18H19N5O8S MolecularWeight: 465.43716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O8S/c1-32(30,31)14-5-6-15(16(10-14)23(28)29)19-7-8-20-17(24)11-21-18(25)12-3-2-4-13(9-12)22(26)27/h2-6,9-10,19H,7-8,11H2,1H3,(H,20,24)(H,21,25)