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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]acetamide Formula: C25H35N4O3S2+ MolecularWeight: 503.7004

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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)CSCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S2/c1-27-14-16-28(17-15-27)24-11-10-22(34(31,32)29-12-6-3-7-13-29)18-23(24)26-25(30)20-33-19-21-8-4-2-5-9-21/h2,4-5,8-11,18H,3,6-7,12-17,19-20H2,1H3,(H,26,30)/p+1