[4-chloranyl-2-(phenylmethyl)phenyl] 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate Openeye Name: (2-benzyl-4-chloro-phenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate CAS Name: 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate Traditional Name: 2,3-diketo-1,4-dihydroquinoxaline-6-sulfonic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

InChI

InChI=1S/C21H15ClN2O5S/c22-15-6-9-19(14(11-15)10-13-4-2-1-3-5-13)29-30(27,28)16-7-8-17-18(12-16)24-21(26)20(25)23-17/h1-9,11-12H,10H2,(H,23,25)(H,24,26)