3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-keto-pyrrolidino]methyl]benzamidine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC3CC(=O)N(C3)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC3CC(=O)N(C3)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H25N5O3S/c22-21(23)17-7-3-4-15(10-17)12-25-14-19(11-20(25)27)24-30(28,29)26-9-8-16-5-1-2-6-18(16)13-26/h1-7,10,19,24H,8-9,11-14H2,(H3,22,23)