4-[4-[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-[2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[2-[benzyl(2-furfuryl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C25H29N4O5S+ MolecularWeight: 497.58656

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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=C(C=C4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5S/c26-25(31)21-8-10-23(11-9-21)35(32,33)29-14-12-27(13-15-29)19-24(30)28(18-22-7-4-16-34-22)17-20-5-2-1-3-6-20/h1-11,16H,12-15,17-19H2,(H2,26,31)/p+1