4-[(4-methylphenyl)sulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylsulfonylmethyl)benzamide CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfonylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(tosylmethyl)benzamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O4S/c1-18-3-9-21(10-4-18)29(26,27)17-19-5-7-20(8-6-19)22(25)23-11-2-12-24-13-15-28-16-14-24/h3-10H,2,11-17H2,1H3,(H,23,25)/p+1