4-(4-methylphenyl)sulfonyl-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-dione

Systemtic Name: 4-(4-methylphenyl)sulfonyl-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-dione Openeye Name: 4-(p-tolylsulfonyl)-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-dione CAS Name: 4-(4-methylphenyl)sulfonyl-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-dione IUPAC Name: 4-(4-methylphenyl)sulfonyl-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-dione Traditional Name: 4-tosyl-1,3,5,7-tetrahydro-1,4,7-benzotriazonine-2,6-quinone Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C3NC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C3NC(=O)C2

InChI

InChI=1S/C17H17N3O4S/c1-12-6-8-13(9-7-12)25(23,24)20-10-16(21)18-14-4-2-3-5-15(14)19-17(22)11-20/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)