7-[[3,5-bis(methylsulfonyl)-1,2-thiazol-4-yl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[3,5-bis(methylsulfonyl)-1,2-thiazol-4-yl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[[3,5-bis(methylsulfonyl)isothiazole-4-carbonyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[3,5-bis(methylsulfonyl)-4-isothiazolyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[3,5-bis(methylsulfonyl)-1,2-thiazole-4-carbonyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[(3,5-dimesylisothiazole-4-carbonyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H14N2O9S4 MolecularWeight: 506.55036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=NS1)S(=O)(=O)C)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C(=NS1)S(=O)(=O)C)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O9S4/c1-29(21,22)15-13(16(28-18-15)30(2,23)24)14(20)17-9-3-4-11-8(5-9)6-10(7-12(11)19)31(25,26)27/h3-7,19H,1-2H3,(H,17,20)(H,25,26,27)