1,3-bis(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]urea; ethanedioic acid

Systemtic Name: 1,3-bis(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]urea; ethanedioic acid Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1,3-bis(2-diethylaminoethyl)urea; oxalic acid CAS Name: 1-[2-(benzenesulfonyl)ethyl]-1,3-bis(2-diethylaminoethyl)urea; oxalic acid IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-1,3-bis(2-diethylaminoethyl)urea; oxalic acid Traditional Name: 1-(2-besylethyl)-1,3-bis(2-diethylaminoethyl)urea; oxalic acid Formula: C23H40N4O7S MolecularWeight: 516.6513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N4O3S.C2H2O4/c1-5-23(6-2)15-14-22-21(26)25(17-16-24(7-3)8-4)18-19-29(27,28)20-12-10-9-11-13-20;3-1(4)2(5)6/h9-13H,5-8,14-19H2,1-4H3,(H,22,26);(H,3,4)(H,5,6)