3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]-1-[2-(phenylsulfonyl)ethyl]urea; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]-1-[2-(phenylsulfonyl)ethyl]urea; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]urea; citric acid CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]urea; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]urea; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-[3-(diethylamino)propyl]urea; citric acid Formula: C34H56N4O17S MolecularWeight: 824.89004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCN(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H40N4O3S.2C6H8O7/c1-5-24(6-2)16-12-17-26(22(27)23-15-18-25(7-3)8-4)19-20-30(28,29)21-13-10-9-11-14-21;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h9-11,13-14H,5-8,12,15-20H2,1-4H3,(H,23,27);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)