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

Systemtic Name: phenyl 8-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)-2-oxidanylidene-3,4-dihydro-1H-quinoxaline-5-sulfonate hydrochloride Openeye Name: phenyl 3-isobutyl-8-(4-methylpiperazin-1-yl)-2-oxo-3,4-dihydro-1H-quinoxaline-5-sulfonate hydrochloride CAS Name: 8-(4-methyl-1-piperazinyl)-3-(2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoxaline-5-sulfonic acid phenyl ester hydrochloride IUPAC Name: phenyl 8-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoxaline-5-sulfonate hydrochloride Traditional Name: 3-isobutyl-2-keto-8-(4-methylpiperazino)-3,4-dihydro-1H-quinoxaline-5-sulfonic acid phenyl ester hydrochloride Formula: C23H31ClN4O4S MolecularWeight: 495.03464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(C=CC(=C2N1)S(=O)(=O)OC3=CC=CC=C3)N4CCN(CC4)C.Cl

Isomeric SMILES

CC(C)CC1C(=O)NC2=C(C=CC(=C2N1)S(=O)(=O)OC3=CC=CC=C3)N4CCN(CC4)C.Cl

InChI

InChI=1S/C23H30N4O4S.ClH/c1-16(2)15-18-23(28)25-21-19(27-13-11-26(3)12-14-27)9-10-20(22(21)24-18)32(29,30)31-17-7-5-4-6-8-17;/h4-10,16,18,24H,11-15H2,1-3H3,(H,25,28);1H