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

Systemtic Name: 1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-yl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea citrate CAS Name: 1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[2-(4-tert-butylphenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea citrate Formula: C28H44N3O10S-3 MolecularWeight: 614.72806

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H39N3O3S.C6H8O7/c1-8-24(9-2)15-14-23-21(26)25(18(3)4)16-17-29(27,28)20-12-10-19(11-13-20)22(5,6)7;7-3(8)1-6(13,5(11)12)2-4(9)10/h10-13,18H,8-9,14-17H2,1-7H3,(H,23,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3