N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-veratryl-amine Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-21(14-15-6-9-19(28-2)20(12-15)29-3)17-8-7-16(13-18(17)23(24)25)30(26,27)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11,14H2,1-3H3