(1R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-(4-nitrophenyl)ethanol

Systemtic Name: (1R)-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]-1-(4-nitrophenyl)ethanol Openeye Name: (1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]-1-(4-nitrophenyl)ethanol CAS Name: (1R)-2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]-1-(4-nitrophenyl)ethanol IUPAC Name: (1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]-1-(4-nitrophenyl)ethanol Traditional Name: (1R)-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]-1-(4-nitrophenyl)ethanol Formula: C19H24N5O7S+ MolecularWeight: 466.48816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O7S/c1-21-8-10-22(11-9-21)32(30,31)16-6-7-17(18(12-16)24(28)29)20-13-19(25)14-2-4-15(5-3-14)23(26)27/h2-7,12,19-20,25H,8-11,13H2,1H3/p+1/t19-/m0/s1