N-(furan-2-ylmethyl)-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-benzyl-N-(2-furylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-benzyl-N-(2-furfuryl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N3O4S2+ MolecularWeight: 460.58954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S2/c26-21(24(17-20-8-4-14-29-20)16-19-6-2-1-3-7-19)18-23-10-12-25(13-11-23)31(27,28)22-9-5-15-30-22/h1-9,14-15H,10-13,16-18H2/p+1