6,7-bis(chloranyl)-5-[(phenylmethyl)sulfonylmethyl]-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6,7-bis(chloranyl)-5-[(phenylmethyl)sulfonylmethyl]-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-(benzylsulfonylmethyl)-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6,7-dichloro-5-[(phenylmethyl)sulfonylmethyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-(benzylsulfonylmethyl)-6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-(benzylsulfonylmethyl)-6,7-dichloro-1,4-dihydroquinoxaline-2,3-quinone Formula: C16H12Cl2N2O4S MolecularWeight: 399.24848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC2=C3C(=CC(=C2Cl)Cl)NC(=O)C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=C3C(=CC(=C2Cl)Cl)NC(=O)C(=O)N3

InChI

InChI=1S/C16H12Cl2N2O4S/c17-11-6-12-14(20-16(22)15(21)19-12)10(13(11)18)8-25(23,24)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,19,21)(H,20,22)