2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]piperidin-1-yl]methyl]phenyl]quinoxaline

Systemtic Name: 2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]piperidin-1-yl]methyl]phenyl]quinoxaline Openeye Name: 2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]-1-piperidyl]methyl]phenyl]quinoxaline CAS Name: 2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]-1-piperidinyl]methyl]phenyl]quinoxaline IUPAC Name: 2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]piperidin-1-yl]methyl]phenyl]quinoxaline Traditional Name: 2-phenyl-3-[4-[[3-[1-(sulfinatoamino)butyl]piperidino]methyl]phenyl]quinoxaline Formula: C30H33N4O2S- MolecularWeight: 513.67362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCN(C1)CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)NS(=O)[O-]

Isomeric SMILES

CCCC(C1CCCN(C1)CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)NS(=O)[O-]

InChI

InChI=1S/C30H34N4O2S/c1-2-9-26(33-37(35)36)25-12-8-19-34(21-25)20-22-15-17-24(18-16-22)30-29(23-10-4-3-5-11-23)31-27-13-6-7-14-28(27)32-30/h3-7,10-11,13-18,25-26,33H,2,8-9,12,19-21H2,1H3,(H,35,36)/p-1