N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(2-furylmethyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-N-(2-furfuryl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C25H29N3O4S/c1-21-9-11-24(12-10-21)33(30,31)28-15-13-26(14-16-28)20-25(29)27(19-23-8-5-17-32-23)18-22-6-3-2-4-7-22/h2-12,17H,13-16,18-20H2,1H3/p+1