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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-4-(2-thienyl)butanamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-4-(2-thienyl)butyramide Formula: C24H35N4O3S2+ MolecularWeight: 491.6897

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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)CCCC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H34N4O3S2/c1-26-14-16-27(17-15-26)23-11-10-21(33(30,31)28-12-3-2-4-13-28)19-22(23)25-24(29)9-5-7-20-8-6-18-32-20/h6,8,10-11,18-19H,2-5,7,9,12-17H2,1H3,(H,25,29)/p+1