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

Systemtic Name: 5-(4-ethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Openeye Name: 5-(4-ethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline CAS Name: 5-(4-ethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline IUPAC Name: 5-(4-ethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Traditional Name: 1-methyl-5-p-phenetylsulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=NC4=CC=CC=C4N=C32)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=NC4=CC=CC=C4N=C32)C

InChI

InChI=1S/C20H22N4O3S/c1-3-27-15-9-11-16(12-10-15)28(25,26)24-14-6-13-23(2)19-20(24)22-18-8-5-4-7-17(18)21-19/h4-5,7-12H,3,6,13-14H2,1-2H3