3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)-1-[2-(phenylsulfonyl)ethyl]urea; ethanedioate

Systemtic Name: 3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)-1-[2-(phenylsulfonyl)ethyl]urea; ethanedioate Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)urea; oxalate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)urea; oxalate IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)urea; oxalate Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-(3-ethoxypropyl)urea; oxalate Formula: C22H35N3O8S-2 MolecularWeight: 501.5936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O4S.C2H2O4/c1-4-22(5-2)15-13-21-20(24)23(14-10-17-27-6-3)16-18-28(25,26)19-11-8-7-9-12-19;3-1(4)2(5)6/h7-9,11-12H,4-6,10,13-18H2,1-3H3,(H,21,24);(H,3,4)(H,5,6)/p-2