phenyl 3,3,4-trimethyl-8-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinoxaline-5-sulfonate

Systemtic Name: phenyl 3,3,4-trimethyl-8-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinoxaline-5-sulfonate Openeye Name: phenyl 3,3,4-trimethyl-8-(4-methylpiperazin-1-yl)-2-oxo-1H-quinoxaline-5-sulfonate CAS Name: 3,3,4-trimethyl-8-(4-methyl-1-piperazinyl)-2-oxo-1H-quinoxaline-5-sulfonic acid phenyl ester IUPAC Name: phenyl 3,3,4-trimethyl-8-(4-methylpiperazin-1-yl)-2-oxo-1H-quinoxaline-5-sulfonate Traditional Name: 2-keto-3,3,4-trimethyl-8-(4-methylpiperazino)-1H-quinoxaline-5-sulfonic acid phenyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(C=CC(=C2N1C)S(=O)(=O)OC3=CC=CC=C3)N4CCN(CC4)C)C

Isomeric SMILES

CC1(C(=O)NC2=C(C=CC(=C2N1C)S(=O)(=O)OC3=CC=CC=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C22H28N4O4S/c1-22(2)21(27)23-19-17(26-14-12-24(3)13-15-26)10-11-18(20(19)25(22)4)31(28,29)30-16-8-6-5-7-9-16/h5-11H,12-15H2,1-4H3,(H,23,27)