6,7-dimethyl-2-phenyl-3-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]quinoxaline

Systemtic Name: 6,7-dimethyl-2-phenyl-3-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]quinoxaline Openeye Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenyl-quinoxaline CAS Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenylquinoxaline IUPAC Name: 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6,7-dimethyl-3-phenylquinoxaline Traditional Name: 2-(4-besyl-1,4-diazepan-1-yl)-6,7-dimethyl-3-phenyl-quinoxaline Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c1-20-18-24-25(19-21(20)2)29-27(26(28-24)22-10-5-3-6-11-22)30-14-9-15-31(17-16-30)34(32,33)23-12-7-4-8-13-23/h3-8,10-13,18-19H,9,14-17H2,1-2H3