1-isoquinolin-1-ylbutane-2-sulfonic acid

Systemtic Name: 1-isoquinolin-1-ylbutane-2-sulfonic acid Openeye Name: 1-(1-isoquinolyl)butane-2-sulfonic acid CAS Name: 1-(1-isoquinolinyl)-2-butanesulfonic acid IUPAC Name: 1-isoquinolin-1-ylbutane-2-sulfonic acid Traditional Name: 1-(1-isoquinolyl)butane-2-sulfonic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NC=CC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CCC(CC1=NC=CC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C13H15NO3S/c1-2-11(18(15,16)17)9-13-12-6-4-3-5-10(12)7-8-14-13/h3-8,11H,2,9H2,1H3,(H,15,16,17)