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

Systemtic Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide Openeye Name: 5-(m-tolylmethylsulfonylmethyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide CAS Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide Traditional Name: 5-[(3-methylbenzyl)sulfonylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-furamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-17-6-4-7-18(14-17)15-28(25,26)16-19-8-9-20(27-19)21(24)22-10-5-13-23-11-2-3-12-23/h4,6-9,14H,2-3,5,10-13,15-16H2,1H3,(H,22,24)/p+1