3-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 3-(p-tolylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-3-(tosylamino)benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)23-19-7-4-6-18(16-19)21(25)22-12-5-15-24-13-2-3-14-24/h4,6-11,16,23H,2-3,5,12-15H2,1H3,(H,22,25)/p+1