N3-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzene-1,3-disulfonamide CAS Name: N3-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzene-1,3-disulfonamide Traditional Name: N'-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzene-1,3-disulfonamide Formula: C18H23N3O7S3 MolecularWeight: 489.58612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O7S3/c1-2-28-17-9-8-14(12-18(17)31(26,27)21-10-3-4-11-21)20-30(24,25)16-7-5-6-15(13-16)29(19,22)23/h5-9,12-13,20H,2-4,10-11H2,1H3,(H2,19,22,23)