(2R)-2-(phenylsulfonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (2R)-2-(phenylsulfonylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2R)-2-(benzenesulfonamido)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2R)-2-(benzenesulfonamido)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (2R)-2-(benzenesulfonamido)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2R)-2-(benzenesulfonamido)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17(23-28(26,27)20-7-3-2-4-8-20)21(25)22-15-18-9-11-19(12-10-18)16-24-13-5-6-14-24/h2-4,7-12,17,23H,5-6,13-16H2,1H3,(H,22,25)/p+1/t17-/m1/s1