4-methyl-3-(phenylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-methyl-3-(phenylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 3-(benzenesulfonamido)-4-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 3-(benzenesulfonamido)-4-methyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 3-(benzenesulfonamido)-4-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 3-(benzenesulfonamido)-4-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17-10-11-18(21(25)22-12-7-15-24-13-5-6-14-24)16-20(17)23-28(26,27)19-8-3-2-4-9-19/h2-4,8-11,16,23H,5-7,12-15H2,1H3,(H,22,25)/p+1