4-[2-oxidanylidene-2-[7-(quinolin-8-ylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[2-oxidanylidene-2-[7-(quinolin-8-ylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[2-oxo-2-[7-(8-quinolylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzamidine hydrochloride CAS Name: 4-[2-oxo-2-[7-(8-quinolinylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[2-oxo-2-[7-(quinolin-8-ylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[2-keto-2-[7-(8-quinolylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzamidine hydrochloride Formula: C27H26ClN5O3S MolecularWeight: 536.04504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)CC5=CC=C(C=C5)C(=N)N.Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C27H25N5O3S.ClH/c28-27(29)21-8-6-18(7-9-21)15-25(33)32-14-12-19-10-11-23(16-22(19)17-32)31-36(34,35)24-5-1-3-20-4-2-13-30-26(20)24;/h1-11,13,16,31H,12,14-15,17H2,(H3,28,29);1H