2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[2-furylmethyl(p-tolylsulfonyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[2-furanylmethyl-(4-methylphenyl)sulfonylamino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[2-furfuryl(tosyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C27H34N3O4S+ MolecularWeight: 496.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H33N3O4S/c1-22-7-13-26(14-8-22)35(32,33)30(20-25-6-5-17-34-25)21-27(31)28-18-23-9-11-24(12-10-23)19-29-15-3-2-4-16-29/h5-14,17H,2-4,15-16,18-21H2,1H3,(H,28,31)/p+1