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

Systemtic Name: N4,N4-dimethyl-N1-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-[4-(3-pyridylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-[4-(3-pyridinylmethylthio)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[4-(3-pyridylmethylthio)phenyl]benzene-1,4-disulfonamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S3/c1-23(2)30(26,27)20-11-9-19(10-12-20)29(24,25)22-17-5-7-18(8-6-17)28-15-16-4-3-13-21-14-16/h3-14,22H,15H2,1-2H3