5-[(4-methylphenyl)methylsulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-(p-tolylmethylsulfonylmethyl)furan-2-carboxamide CAS Name: 5-[(4-methylphenyl)methylsulfonylmethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(4-methylphenyl)methylsulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: 5-[(4-methylbenzyl)sulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O5S/c1-17-3-5-18(6-4-17)15-29(25,26)16-19-7-8-20(28-19)21(24)22-9-2-10-23-11-13-27-14-12-23/h3-8H,2,9-16H2,1H3,(H,22,24)/p+1