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

Systemtic Name: sodium 4-[[2-(4-methoxyphenyl)sulfonyl-3-(oxidanylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxo-butanoate CAS Name: sodium 4-[[3-[(hydroxyamino)-oxomethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoate IUPAC Name: sodium 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-oxobutanoate Traditional Name: sodium 4-[[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]amino]-4-keto-butyrate Formula: C21H22N3NaO8S MolecularWeight: 499.46945

Click to see the large picture

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-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NO)C=CC(=C3)NC(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H23N3O8S.Na/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);/q;+1/p-1