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

Systemtic Name: 4-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-methyl-3-nitro-benzamide Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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