[3-(isoquinolin-3-ylcarbonylamino)-3-methyl-2-oxidanylidene-pentyl] methanesulfonate

Systemtic Name: [3-(isoquinolin-3-ylcarbonylamino)-3-methyl-2-oxidanylidene-pentyl] methanesulfonate Openeye Name: [3-(isoquinoline-3-carbonylamino)-3-methyl-2-oxo-pentyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[3-isoquinolinyl(oxo)methyl]amino]-3-methyl-2-oxopentyl] ester IUPAC Name: [3-(isoquinoline-3-carbonylamino)-3-methyl-2-oxopentyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(isoquinoline-3-carbonylamino)-2-keto-3-methyl-pentyl] ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)COS(=O)(=O)C)NC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CCC(C)(C(=O)COS(=O)(=O)C)NC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C17H20N2O5S/c1-4-17(2,15(20)11-24-25(3,22)23)19-16(21)14-9-12-7-5-6-8-13(12)10-18-14/h5-10H,4,11H2,1-3H3,(H,19,21)