N-[2-(dimorpholin-4-ylmethyl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(dimorpholin-4-ylmethyl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(dimorpholinomethyl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[bis(4-morpholinyl)methyl]-4-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(dimorpholin-4-ylmethyl)-4-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(dimorpholinomethyl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C22H28N4O6S/c1-17-2-5-19(6-3-17)33(29,30)23-21-7-4-18(26(27)28)16-20(21)22(24-8-12-31-13-9-24)25-10-14-32-15-11-25/h2-7,16,22-23H,8-15H2,1H3