N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide CAS Name: N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]oxamide IUPAC Name: N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide Traditional Name: N'-(3-cyclopentylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c30-24(26-13-14-28-15-17-29(18-16-28)21-8-2-1-3-9-21)25(31)27-20-7-6-12-23(19-20)34(32,33)22-10-4-5-11-22/h1-3,6-9,12,19,22H,4-5,10-11,13-18H2,(H,26,30)(H,27,31)/p+1