N4,N4-diethyl-N1-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[4-(3-pyridylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[4-(3-pyridinylmethylthio)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[4-(3-pyridylmethylthio)phenyl]benzene-1,4-disulfonamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C22H25N3O4S3/c1-3-25(4-2)32(28,29)22-13-11-21(12-14-22)31(26,27)24-19-7-9-20(10-8-19)30-17-18-6-5-15-23-16-18/h5-16,24H,3-4,17H2,1-2H3