N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[2-hydroxyethyl(p-tolylsulfonyl)amino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[2-hydroxyethyl(tosyl)amino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])N(CCO)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])N(CCO)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O7S2/c1-16-3-8-19(9-4-16)33(29,30)23-21-15-18(25(27)28)7-12-22(21)24(13-14-26)34(31,32)20-10-5-17(2)6-11-20/h3-12,15,23,26H,13-14H2,1-2H3