N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: methyl-(4-morpholinosulfonyl-2-nitro-phenyl)-o-veratryl-amine Formula: C20H25N3O7S MolecularWeight: 451.4934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-21(14-15-5-4-6-19(28-2)20(15)29-3)17-8-7-16(13-18(17)23(24)25)31(26,27)22-9-11-30-12-10-22/h4-8,13H,9-12,14H2,1-3H3