3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-yl-urea; ethanedioate

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-yl-urea; ethanedioate Openeye Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; oxalate CAS Name: 3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-ylurea; oxalate IUPAC Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-propan-2-ylurea; oxalate Traditional Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; oxalate Formula: C21H33N3O7S-2 MolecularWeight: 471.56762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N(CCS(=O)(=O)CC1=CC=CC=C1)C(C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCS(=O)(=O)CC1=CC=CC=C1)C(C)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H33N3O3S.C2H2O4/c1-5-21(6-2)13-12-20-19(23)22(17(3)4)14-15-26(24,25)16-18-10-8-7-9-11-18;3-1(4)2(5)6/h7-11,17H,5-6,12-16H2,1-4H3,(H,20,23);(H,3,4)(H,5,6)/p-2