N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-4-methyl-benzenesulfonamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O3S2/c1-16-6-9-19(10-7-16)29(25,26)24-23-14-17-8-11-20(27-2)18(13-17)15-28-21-5-3-4-12-22-21/h3-14,24H,15H2,1-2H3/b23-14+