N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-2-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H26N4O4S/c1-22(2)17-11-9-16(10-12-17)19(23-13-5-6-14-23)15-21-29(27,28)20-8-4-3-7-18(20)24(25)26/h3-4,7-12,19,21H,5-6,13-15H2,1-2H3