N-cyclopropyl-2-[methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanamide

Systemtic Name: N-cyclopropyl-2-[methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanamide Openeye Name: N-cyclopropyl-2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]acetamide CAS Name: N-cyclopropyl-2-[N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]acetamide IUPAC Name: N-cyclopropyl-2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]acetamide Traditional Name: N-cyclopropyl-2-[N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]acetamide Formula: C17H26N5O5S+ MolecularWeight: 412.48384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5S/c1-19-7-9-21(10-8-19)28(26,27)14-5-6-15(16(11-14)22(24)25)20(2)12-17(23)18-13-3-4-13/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,18,23)/p+1