N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-(4-nitrophenoxy)acetamide Formula: C24H32N5O6S+ MolecularWeight: 518.60578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O6S/c1-26-13-15-27(16-14-26)23-10-9-21(36(33,34)28-11-3-2-4-12-28)17-22(23)25-24(30)18-35-20-7-5-19(6-8-20)29(31)32/h5-10,17H,2-4,11-16,18H2,1H3,(H,25,30)/p+1