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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C(=N)N)C=CC(=C2)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

Isomeric SMILES

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C(=N)N)C=CC(=C2)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C27H25N5O3S.ClH/c1-17(33)26-23-16-21(31-36(34,35)24-6-2-4-19-5-3-14-30-25(19)24)10-7-18(23)13-15-32(26)22-11-8-20(9-12-22)27(28)29;/h2-12,14,16,26,31H,13,15H2,1H3,(H3,28,29);1H