2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Openeye Name: 2-phenyl-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]quinoxaline CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline Traditional Name: 2-phenyl-3-(4-tosyl-1,4-diazepan-1-yl)quinoxaline Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c1-20-12-14-22(15-13-20)33(31,32)30-17-7-16-29(18-19-30)26-25(21-8-3-2-4-9-21)27-23-10-5-6-11-24(23)28-26/h2-6,8-15H,7,16-19H2,1H3