2-[(2-cyanophenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2-cyanophenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(2-cyanophenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2-cyanophenyl)sulfonylamino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2-cyanophenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H24N4O3S/c22-13-19-5-1-2-6-20(19)29(27,28)24-15-21(26)23-14-17-7-9-18(10-8-17)16-25-11-3-4-12-25/h1-2,5-10,24H,3-4,11-12,14-16H2,(H,23,26)/p+1