4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-(4-tosyl-1,4-diazepan-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O4S/c1-17-7-9-18(10-8-17)31(29,30)25-12-4-11-24(13-14-25)16-22(28)26-15-21(27)23-19-5-2-3-6-20(19)26/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)