N3-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(2-keto-2-pyrrolidino-ethoxy)phenyl]benzene-1,3-disulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O6S2/c19-28(23,24)16-7-4-8-17(12-16)29(25,26)20-14-5-3-6-15(11-14)27-13-18(22)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10,13H2,(H2,19,23,24)