N-(2-methoxyphenyl)-5-nitro-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-5-nitro-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-5-nitro-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-5-nitro-2-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-5-nitro-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-5-nitro-2-[[2-(pyrrolidinomethyl)benzyl]amino]benzenesulfonamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H28N4O5S/c1-34-24-11-5-4-10-22(24)27-35(32,33)25-16-21(29(30)31)12-13-23(25)26-17-19-8-2-3-9-20(19)18-28-14-6-7-15-28/h2-5,8-13,16,26-27H,6-7,14-15,17-18H2,1H3