N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[4-[(2,6-dimethyl-4-morpholinyl)methyl]phenyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[(2,6-dimethylmorpholino)methyl]benzyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CC2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CN(CC(O1)C)CC2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H27N3O5S/c1-15-4-9-20(24(25)26)10-21(15)30(27,28)22-11-18-5-7-19(8-6-18)14-23-12-16(2)29-17(3)13-23/h4-10,16-17,22H,11-14H2,1-3H3