2-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-(4-morpholinophenyl)propyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-[4-(4-morpholinyl)phenyl]propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[3-(4-morpholinophenyl)propyl]-5-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H25N3O5S/c1-16-4-7-19(23(24)25)15-20(16)29(26,27)21-10-2-3-17-5-8-18(9-6-17)22-11-13-28-14-12-22/h4-9,15,21H,2-3,10-14H2,1H3