7-[[6,7-bis(chloranyl)-3-methylsulfonyl-quinoxalin-2-yl]amino]azepan-2-one

Systemtic Name: 7-[[6,7-bis(chloranyl)-3-methylsulfonyl-quinoxalin-2-yl]amino]azepan-2-one Openeye Name: 7-[(6,7-dichloro-3-methylsulfonyl-quinoxalin-2-yl)amino]azepan-2-one CAS Name: 7-[(6,7-dichloro-3-methylsulfonyl-2-quinoxalinyl)amino]-2-azepanone IUPAC Name: 7-[(6,7-dichloro-3-methylsulfonylquinoxalin-2-yl)amino]azepan-2-one Traditional Name: 7-[(6,7-dichloro-3-mesyl-quinoxalin-2-yl)amino]azepan-2-one Formula: C15H16Cl2N4O3S MolecularWeight: 403.28354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=CC(=C(C=C2N=C1NC3CCCCC(=O)N3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC2=CC(=C(C=C2N=C1NC3CCCCC(=O)N3)Cl)Cl

InChI

InChI=1S/C15H16Cl2N4O3S/c1-25(23,24)15-14(21-12-4-2-3-5-13(22)20-12)18-10-6-8(16)9(17)7-11(10)19-15/h6-7,12H,2-5H2,1H3,(H,18,21)(H,20,22)