(2,3-dimethylquinoxalin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C)N=C1C

InChI

InChI=1S/C17H22N4O3S/c1-12-13(2)19-16-11-14(5-6-15(16)18-12)17(22)20-7-4-8-21(10-9-20)25(3,23)24/h5-6,11H,4,7-10H2,1-3H3