2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

InChI

InChI=1S/C19H21NO5S/c1-2-25-15-7-9-16(10-8-15)26(23,24)20-12-11-14-5-3-4-6-17(14)18(20)13-19(21)22/h3-10,18H,2,11-13H2,1H3,(H,21,22)