4-[[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(hydroxyamino)-oxomethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-keto-butyric acid Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)NC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H23N3O8S/c1-32-16-4-6-17(7-5-16)33(30,31)24-12-14-10-15(22-19(25)8-9-20(26)27)3-2-13(14)11-18(24)21(28)23-29/h2-7,10,18,29H,8-9,11-12H2,1H3,(H,22,25)(H,23,28)(H,26,27)