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

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-1-propan-2-yl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(2-diethylaminoethyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-1-isopropyl-urea citrate CAS Name: 3-(2-diethylaminoethyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-(2-diethylaminoethyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-(2-diethylaminoethyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-1-isopropyl-urea citrate Formula: C24H36N3O11S-3 MolecularWeight: 574.62114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H31N3O4S.C6H8O7/c1-5-20(6-2)12-11-19-18(23)21(15(3)4)13-14-26(24,25)17-9-7-16(22)8-10-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-10,15,22H,5-6,11-14H2,1-4H3,(H,19,23);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3