1-methyl-5-(phenylsulfonyl)-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride

Systemtic Name: 1-methyl-5-(phenylsulfonyl)-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride Openeye Name: 5-(benzenesulfonyl)-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride CAS Name: 5-(benzenesulfonyl)-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride IUPAC Name: 5-(benzenesulfonyl)-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride Traditional Name: 5-besyl-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline hydrochloride Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C18H18N4O2S.ClH/c1-21-12-7-13-22(25(23,24)14-8-3-2-4-9-14)18-17(21)19-15-10-5-6-11-16(15)20-18;/h2-6,8-11H,7,12-13H2,1H3;1H