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

Systemtic Name: 3-chloranyl-4-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzenesulfonamide Traditional Name: 3-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-methyl-benzenesulfonamide Formula: C16H18ClN3O6S2 MolecularWeight: 447.91362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O6S2/c1-11-3-4-13(9-14(11)17)28(25,26)19-8-7-18-15-6-5-12(27(2,23)24)10-16(15)20(21)22/h3-6,9-10,18-19H,7-8H2,1-2H3