3-[3-(4-ethanoylpiperazin-1-yl)-2-(2-isoquinolin-1-ylethylsulfamoylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2-(2-isoquinolin-1-ylethylsulfamoylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2-[2-(1-isoquinolyl)ethylsulfamoylamino]-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2-[2-(1-isoquinolinyl)ethylsulfamoylamino]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2-(2-isoquinolin-1-ylethylsulfamoylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-acetylpiperazino)-2-[2-(1-isoquinolyl)ethylsulfamoylamino]-3-keto-propyl]benzamidine Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCCC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCCC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C27H33N7O4S/c1-19(35)33-13-15-34(16-14-33)27(36)25(18-20-5-4-7-22(17-20)26(28)29)32-39(37,38)31-12-10-24-23-8-3-2-6-21(23)9-11-30-24/h2-9,11,17,25,31-32H,10,12-16,18H2,1H3,(H3,28,29)