2-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoic acid

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoic acid Openeye Name: 2-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoic acid CAS Name: 2-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoic acid IUPAC Name: 2-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propanoic acid Traditional Name: 2-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)N1CCC2=C(C1)C=CC(=C2)Cl

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)N1CCC2=C(C1)C=CC(=C2)Cl

InChI

InChI=1S/C12H14ClNO4S/c1-8(12(15)16)19(17,18)14-5-4-9-6-11(13)3-2-10(9)7-14/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)