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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-veratryl-amine Formula: C19H23N3O7S MolecularWeight: 437.46682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O7S/c1-27-18-6-3-14(11-19(18)28-2)13-20-16-5-4-15(12-17(16)22(23)24)30(25,26)21-7-9-29-10-8-21/h3-6,11-12,20H,7-10,13H2,1-2H3