N-[4-[S-(5-acetamidopyridin-2-yl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]phenyl]ethanamide

Systemtic Name: N-[4-[S-(5-acetamidopyridin-2-yl)-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]phenyl]ethanamide Openeye Name: N-[4-[S-(5-acetamido-2-pyridyl)-N-(p-tolylsulfonyl)sulfinimidoyl]phenyl]acetamide CAS Name: N-[4-[S-(5-acetamido-2-pyridinyl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]phenyl]acetamide IUPAC Name: N-[4-[S-(5-acetamidopyridin-2-yl)-N-(4-methylphenyl)sulfonylsulfinimidoyl]phenyl]acetamide Traditional Name: N-[4-[S-(5-acetamido-2-pyridyl)-N-tosyl-sulfinimidoyl]phenyl]acetamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=C(C=C2)NC(=O)C)C3=NC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=S(/C2=CC=C(C=C2)NC(=O)C)\C3=NC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N4O4S2/c1-15-4-11-21(12-5-15)32(29,30)26-31(20-9-6-18(7-10-20)24-16(2)27)22-13-8-19(14-23-22)25-17(3)28/h4-14H,1-3H3,(H,24,27)(H,25,28)