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

Systemtic Name: 1-(2-diethylaminoethyl)-1-ethyl-3-[2-(phenylsulfonyl)ethyl]-3-propan-2-yl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-3-ethyl-1-isopropyl-urea citrate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-3-ethyl-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-3-ethyl-1-propan-2-ylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-3-ethyl-1-isopropyl-urea citrate Formula: C26H40N3O10S-3 MolecularWeight: 586.6749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3S.C6H8O7/c1-6-21(7-2)14-15-22(8-3)20(24)23(18(4)5)16-17-27(25,26)19-12-10-9-11-13-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13,18H,6-8,14-17H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3