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

Systemtic Name: 4-azanyl-3-[[2-oxidanylidene-3-[(5-pyridin-3-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 4-amino-3-[[2-oxo-3-[[5-(3-pyridyl)-2-thienyl]sulfonylamino]pyrrolidin-1-yl]methyl]benzamidine CAS Name: 4-amino-3-[[2-oxo-3-[[5-(3-pyridinyl)-2-thiophenyl]sulfonylamino]-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 4-amino-3-[[2-oxo-3-[(5-pyridin-3-ylthiophen-2-yl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 4-amino-3-[[2-keto-3-[[5-(3-pyridyl)-2-thienyl]sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12,22H2,(H3,23,24)