3-(4-chlorophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-chlorophenyl)sulfonyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-chlorophenyl)sulfonyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c22-19-7-9-20(10-8-19)28(26,27)14-11-21(25)23-15-17-5-1-2-6-18(17)16-24-12-3-4-13-24/h1-2,5-10H,3-4,11-16H2,(H,23,25)/p+1