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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-phenoxy-ethanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-phenoxy-acetamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-phenoxyacetamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-phenoxy-acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4S/c1-2-27-15-17-28(18-16-27)24-12-11-22(34(31,32)29-13-7-4-8-14-29)19-23(24)26-25(30)20-33-21-9-5-3-6-10-21/h3,5-6,9-12,19H,2,4,7-8,13-18,20H2,1H3,(H,26,30)/p+1