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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-nitro-benzamide Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S/c1-28(26,27)13-5-6-14(15(10-13)20(24)25)17-7-8-18-16(21)11-3-2-4-12(9-11)19(22)23/h2-6,9-10,17H,7-8H2,1H3,(H,18,21)