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

Systemtic Name: 1-(2-diethylaminoethyl)-1-ethyl-3-[2-(phenylsulfonyl)ethyl]urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-1-ethyl-urea citrate CAS Name: 3-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-1-ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-1-ethylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-(2-besylethyl)-1-(2-diethylaminoethyl)-1-ethyl-urea citrate Formula: C23H34N3O10S-3 MolecularWeight: 544.59516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC)C(=O)NCCS(=O)(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCN(CC)C(=O)NCCS(=O)(=O)C1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C17H29N3O3S.C6H8O7/c1-4-19(5-2)13-14-20(6-3)17(21)18-12-15-24(22,23)16-10-8-7-9-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11H,4-6,12-15H2,1-3H3,(H,18,21);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3