5-[(3-methylphenyl)methylsulfonylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide

Systemtic Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide Openeye Name: 5-(m-tolylmethylsulfonylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide CAS Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide Traditional Name: 5-[(3-methylbenzyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-furamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O4S/c1-16-5-4-6-17(13-16)14-27(24,25)15-18-7-8-19(26-18)20(23)21-9-12-22-10-2-3-11-22/h4-8,13H,2-3,9-12,14-15H2,1H3,(H,21,23)/p+1