4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)butane-1-sulfonic acid Openeye Name: 4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)butane-1-sulfonic acid CAS Name: 4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)butane-1-sulfonic acid Traditional Name: 4-(1-methoxy-3,4-dihydro-2H-isoquinolin-1-yl)butane-1-sulfonic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2CCN1)CCCCS(=O)(=O)O

Isomeric SMILES

COC1(C2=CC=CC=C2CCN1)CCCCS(=O)(=O)O

InChI

InChI=1S/C14H21NO4S/c1-19-14(9-4-5-11-20(16,17)18)13-7-3-2-6-12(13)8-10-15-14/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,16,17,18)