N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-[2-oxidanylidene-1-[(phenylmethyl)sulfonylamino]pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-[2-oxidanylidene-1-[(phenylmethyl)sulfonylamino]pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(benzylsulfonylamino)-2-oxo-pyrrolidin-1-ium-1-yl]-N-[(6-carbamimidoyl-3-pyridyl)methyl]acetamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-2-[2-oxo-1-[(phenylmethyl)sulfonylamino]-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[1-(benzylsulfonylamino)-2-oxopyrrolidin-1-ium-1-yl]-N-[(6-carbamimidoylpyridin-3-yl)methyl]acetamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-2-[1-(benzylsulfonylamino)-2-keto-pyrrolidin-1-ium-1-yl]acetamide Formula: C20H25N6O4S+ MolecularWeight: 445.5153

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC(=O)NCC2=CN=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)[N+](C1)(CC(=O)NCC2=CN=C(C=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N6O4S/c21-20(22)17-9-8-16(11-23-17)12-24-18(27)13-26(10-4-7-19(26)28)25-31(29,30)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,25H,4,7,10,12-14H2,(H3-,21,22,24,27)/p+1