N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1-methylsulfonyl-4-piperidinamine IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-1-methylsulfonylpiperidin-4-amine Traditional Name: (1-mesyl-4-piperidyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H28N5O6S2+ MolecularWeight: 462.56412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O6S2/c1-19-9-11-21(12-10-19)30(27,28)15-3-4-16(17(13-15)22(23)24)18-14-5-7-20(8-6-14)29(2,25)26/h3-4,13-14,18H,5-12H2,1-2H3/p+1