4-[3-[6-(isoquinolin-5-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 4-[3-[6-(isoquinolin-5-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[3-[6-(5-isoquinolylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]benzamidine CAS Name: 4-[3-[6-(5-isoquinolinylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[6-(isoquinolin-5-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[6-(5-isoquinolylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propyl]benzamidine Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H27N5O3S/c29-28(30)20-9-6-19(7-10-20)8-13-27(34)33-16-2-4-21-17-23(11-12-25(21)33)32-37(35,36)26-5-1-3-22-18-31-15-14-24(22)26/h1,3,5-7,9-12,14-15,17-18,32H,2,4,8,13,16H2,(H3,29,30)