6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]sulfonyl-1,4-dimethyl-quinoxaline-2,3-dione

Systemtic Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]sulfonyl-1,4-dimethyl-quinoxaline-2,3-dione Openeye Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]sulfonyl-1,4-dimethyl-quinoxaline-2,3-dione CAS Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione IUPAC Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione Traditional Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]sulfonyl-1,4-dimethyl-quinoxaline-2,3-quinone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCC4=CC=CC=C4C3)N(C(=O)C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)CCC(=O)N3CCC4=CC=CC=C4C3)N(C(=O)C1=O)C

InChI

InChI=1S/C22H23N3O5S/c1-23-18-8-7-17(13-19(18)24(2)22(28)21(23)27)31(29,30)12-10-20(26)25-11-9-15-5-3-4-6-16(15)14-25/h3-8,13H,9-12,14H2,1-2H3