1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N4O3S2/c1-32(29,30)19-9-7-18(8-10-19)16-26-11-4-12-27(14-13-26)23(28)17-31-22-15-24-20-5-2-3-6-21(20)25-22/h2-3,5-10,15H,4,11-14,16-17H2,1H3