4-methyl-2-[[2-[3-(4-methylpiperazin-1-yl)-2-nitro-phenoxy]sulfonylphenyl]amino]pentanoic acid hydrochloride

Systemtic Name: 4-methyl-2-[[2-[3-(4-methylpiperazin-1-yl)-2-nitro-phenoxy]sulfonylphenyl]amino]pentanoic acid hydrochloride Openeye Name: 4-methyl-2-[2-[3-(4-methylpiperazin-1-yl)-2-nitro-phenoxy]sulfonylanilino]pentanoic acid hydrochloride CAS Name: 4-methyl-2-[2-[3-(4-methyl-1-piperazinyl)-2-nitrophenoxy]sulfonylanilino]pentanoic acid hydrochloride IUPAC Name: 4-methyl-2-[2-[3-(4-methylpiperazin-1-yl)-2-nitrophenoxy]sulfonylanilino]pentanoic acid hydrochloride Traditional Name: 4-methyl-2-[2-[3-(4-methylpiperazino)-2-nitro-phenoxy]sulfonylanilino]valeric acid hydrochloride Formula: C23H31ClN4O7S MolecularWeight: 543.03284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2[N+](=O)[O-])N3CCN(CC3)C.Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2[N+](=O)[O-])N3CCN(CC3)C.Cl

InChI

InChI=1S/C23H30N4O7S.ClH/c1-16(2)15-18(23(28)29)24-17-7-4-5-10-21(17)35(32,33)34-20-9-6-8-19(22(20)27(30)31)26-13-11-25(3)12-14-26;/h4-10,16,18,24H,11-15H2,1-3H3,(H,28,29);1H