2-(3-azanylisoquinolin-1-yl)ethynyl 2-[2-(phenylcarbonyl)-2-(phenylsulfonyl)hydrazinyl]propanoate

Systemtic Name: 2-(3-azanylisoquinolin-1-yl)ethynyl 2-[2-(phenylcarbonyl)-2-(phenylsulfonyl)hydrazinyl]propanoate Openeye Name: 2-(3-amino-1-isoquinolyl)ethynyl 2-[2-(benzenesulfonyl)-2-benzoyl-hydrazino]propanoate CAS Name: 2-[2-(benzenesulfonyl)-2-benzoylhydrazinyl]propanoic acid 2-(3-amino-1-isoquinolinyl)ethynyl ester IUPAC Name: 2-(3-aminoisoquinolin-1-yl)ethynyl 2-[2-(benzenesulfonyl)-2-benzoylhydrazinyl]propanoate Traditional Name: 2-(N'-benzoyl-N'-besyl-hydrazino)propionic acid 2-(3-amino-1-isoquinolyl)ethynyl ester Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC#CC1=NC(=CC2=CC=CC=C21)N)NN(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC#CC1=NC(=CC2=CC=CC=C21)N)NN(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4O5S/c1-19(27(33)36-17-16-24-23-15-9-8-12-21(23)18-25(28)29-24)30-31(26(32)20-10-4-2-5-11-20)37(34,35)22-13-6-3-7-14-22/h2-15,18-19,30H,1H3,(H2,28,29)