3-(2-diethylaminoethyl)-1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-propan-2-yl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-propan-2-yl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(2-diethylaminoethyl)-1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-isopropyl-urea citrate CAS Name: 3-(2-diethylaminoethyl)-1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-(2-diethylaminoethyl)-1-[2-(4-ethoxyphenyl)sulfonylethyl]-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-(2-diethylaminoethyl)-1-isopropyl-1-(2-p-phenetylsulfonylethyl)urea citrate Formula: C26H40N3O11S-3 MolecularWeight: 602.6743

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)OCC)C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=C(C=C1)OCC)C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H35N3O4S.C6H8O7/c1-6-22(7-2)14-13-21-20(24)23(17(4)5)15-16-28(25,26)19-11-9-18(10-12-19)27-8-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-12,17H,6-8,13-16H2,1-5H3,(H,21,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3