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

Systemtic Name: 4-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-nitro-benzamide Formula: C16H15ClN4O7S MolecularWeight: 442.8309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O7S/c1-29(27,28)11-3-5-13(15(9-11)21(25)26)18-6-7-19-16(22)10-2-4-12(17)14(8-10)20(23)24/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)