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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c29-25(27(19-24-12-7-17-32-24)18-22-8-3-1-4-9-22)20-26-13-15-28(16-14-26)33(30,31)21-23-10-5-2-6-11-23/h1-12,17H,13-16,18-21H2/p+1