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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-(2-thienyl)acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-(2-thienyl)acetamide Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

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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)CC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O3S2/c1-24-11-13-25(14-12-24)21-8-7-19(31(28,29)26-9-3-2-4-10-26)17-20(21)23-22(27)16-18-6-5-15-30-18/h5-8,15,17H,2-4,9-14,16H2,1H3,(H,23,27)/p+1