3-[[2-oxidanylidene-3-[(5-pyridin-4-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[2-oxidanylidene-3-[(5-pyridin-4-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[2-oxo-3-[[5-(4-pyridyl)-2-thienyl]sulfonylamino]pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[2-oxo-3-[(5-pyridin-4-yl-2-thiophenyl)sulfonylamino]-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[2-oxo-3-[(5-pyridin-4-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[2-keto-3-[[5-(4-pyridyl)-2-thienyl]sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(S2)C3=CC=NC=C3)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(S2)C3=CC=NC=C3)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H21N5O3S2/c22-20(23)16-3-1-2-14(12-16)13-26-11-8-17(21(26)27)25-31(28,29)19-5-4-18(30-19)15-6-9-24-10-7-15/h1-7,9-10,12,17,25H,8,11,13H2,(H3,22,23)