isoquinoline-3-carboxamide; methanesulfonic acid

Systemtic Name: isoquinoline-3-carboxamide; methanesulfonic acid Openeye Name: isoquinoline-3-carboxamide; methanesulfonic acid CAS Name: 3-isoquinolinecarboxamide; methanesulfonic acid IUPAC Name: isoquinoline-3-carboxamide; methanesulfonic acid Traditional Name: isoquinoline-3-carboxamide; mesylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C=NC(=CC2=C1)C(=O)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C=NC(=CC2=C1)C(=O)N

InChI

InChI=1S/C10H8N2O.CH4O3S/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;1-5(2,3)4/h1-6H,(H2,11,13);1H3,(H,2,3,4)