3-[[2-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)carbonylcarbamoylamino]ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)carbonylcarbamoylamino]ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[(2-hydroxybenzoyl)carbamoylamino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(4-hydroxyphenyl)-2-[[[[(2-hydroxyphenyl)-oxomethyl]amino]-oxomethyl]amino]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[(2-hydroxybenzoyl)carbamoylamino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(4-hydroxyphenyl)-2-(salicyloylcarbamoylamino)acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C19H18N4O9S MolecularWeight: 478.43262

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=C(C=C2)O)NC(=O)NC(=O)C3=CC=CC=C3O

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=C(C=C2)O)NC(=O)NC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C19H18N4O9S/c24-11-7-5-10(6-8-11)15(17(27)20-13-9-23(18(13)28)33(30,31)32)21-19(29)22-16(26)12-3-1-2-4-14(12)25/h1-8,13,15,24-25H,9H2,(H,20,27)(H,30,31,32)(H2,21,22,26,29)