N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2R)-1-(1-imidazolyl)propan-2-yl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-2-imidazol-1-yl-1-methyl-ethyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H25N6O4S+ MolecularWeight: 409.4832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CN1C=CN=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S/c1-14(12-21-6-5-18-13-21)19-16-4-3-15(11-17(16)23(24)25)28(26,27)22-9-7-20(2)8-10-22/h3-6,11,13-14,19H,7-10,12H2,1-2H3/p+1/t14-/m1/s1