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

Systemtic Name: 2-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-methyl-3-nitro-benzenesulfonamide Formula: C16H18N4O8S2 MolecularWeight: 458.46612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O8S2/c1-11-14(19(21)22)4-3-5-16(11)30(27,28)18-9-8-17-13-7-6-12(29(2,25)26)10-15(13)20(23)24/h3-7,10,17-18H,8-9H2,1-2H3