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

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C25H27N4O4S+ MolecularWeight: 479.57128

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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)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H26N4O4S/c26-17-22-9-4-5-11-24(22)34(31,32)29-14-12-27(13-15-29)20-25(30)28(19-23-10-6-16-33-23)18-21-7-2-1-3-8-21/h1-11,16H,12-15,18-20H2/p+1