2-oxidanylpropane-1,2,3-tricarboxylate; 1-[1-(phenylsulfonyl)ethyl]urea; hydrate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-[1-(phenylsulfonyl)ethyl]urea; hydrate Openeye Name: 1-(benzenesulfonyl)ethylurea citrate hydrate CAS Name: 1-(benzenesulfonyl)ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate IUPAC Name: 1-(benzenesulfonyl)ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate; hydrate Traditional Name: 1-besylethylurea citrate hydrate Formula: C15H19N2O11S-3 MolecularWeight: 435.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)N)S(=O)(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

Isomeric SMILES

CC(NC(=O)N)S(=O)(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O

InChI

InChI=1S/C9H12N2O3S.C6H8O7.H2O/c1-7(11-9(10)12)15(13,14)8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2-7H,1H3,(H3,10,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/p-3