4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(3-piperidinosulfonylphenyl)benzamide Formula: C23H30N5O5S+ MolecularWeight: 488.5798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-25-12-14-26(15-13-25)21-9-8-18(16-22(21)28(30)31)23(29)24-19-6-5-7-20(17-19)34(32,33)27-10-3-2-4-11-27/h5-9,16-17H,2-4,10-15H2,1H3,(H,24,29)/p+1