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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: homoveratryl-methyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H27N3O6S MolecularWeight: 449.52058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-22(13-10-16-6-9-20(29-2)21(14-16)30-3)18-8-7-17(15-19(18)24(25)26)31(27,28)23-11-4-5-12-23/h6-9,14-15H,4-5,10-13H2,1-3H3