2-[7-azanyl-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[7-azanyl-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-amino-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[7-amino-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[7-amino-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[7-amino-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)C(=O)O)C=CC(=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)C(=O)O)C=CC(=C3)N

InChI

InChI=1S/C18H18N2O6S/c1-26-14-4-6-15(7-5-14)27(24,25)20-10-12-8-13(19)3-2-11(12)9-16(20)17(21)18(22)23/h2-8,16H,9-10,19H2,1H3,(H,22,23)