2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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