5-[2-(methylsulfonylamino)ethyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-[2-(methylsulfonylamino)ethyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-[2-(methanesulfonamido)ethyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-[2-(methanesulfonamido)ethyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-[2-(methanesulfonamido)ethyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-[2-(methanesulfonamido)ethyl]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C20H27N3O3S2/c1-28(25,26)22-11-10-18-8-9-19(27-18)20(24)21-14-16-6-2-3-7-17(16)15-23-12-4-5-13-23/h2-3,6-9,22H,4-5,10-15H2,1H3,(H,21,24)/p+1