N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-3-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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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)17-10-8-16(9-11-17)20(23-12-3-4-13-23)15-21-29(27,28)19-7-5-6-18(14-19)24(25)26/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3