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

Systemtic Name: 1-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Openeye Name: 1-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline CAS Name: 1-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline IUPAC Name: 1-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Traditional Name: 1-methyl-5-(4-pyrrolidinosulfonylphenyl)sulfonyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1CCCN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H25N5O4S2/c1-25-13-6-16-27(22-21(25)23-19-7-2-3-8-20(19)24-22)33(30,31)18-11-9-17(10-12-18)32(28,29)26-14-4-5-15-26/h2-3,7-12H,4-6,13-16H2,1H3