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

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-prop-2-enyl-urea; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-allyl-1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)urea citrate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-prop-2-enylurea; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-prop-2-enylurea; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-allyl-1-(2-besylethyl)-3-(2-diethylaminoethyl)urea citrate Formula: C24H34N3O10S-3 MolecularWeight: 556.60586

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H29N3O3S.C6H8O7/c1-4-13-21(18(22)19-12-14-20(5-2)6-3)15-16-25(23,24)17-10-8-7-9-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7-11H,1,5-6,12-16H2,2-3H3,(H,19,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3