N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C24H34N5O4S+ MolecularWeight: 488.62286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H33N5O4S/c1-26-13-15-27(16-14-26)19-21-7-5-20(6-8-21)18-25-23-10-9-22(17-24(23)29(30)31)34(32,33)28-11-3-2-4-12-28/h5-10,17,25H,2-4,11-16,18-19H2,1H3/p+1