3-(2-diethylaminoethyl)-1-[3-(phenylsulfonyl)propyl]-1-propan-2-yl-urea; ethanedioic acid

Systemtic Name: 3-(2-diethylaminoethyl)-1-[3-(phenylsulfonyl)propyl]-1-propan-2-yl-urea; ethanedioic acid Openeye Name: 1-[3-(benzenesulfonyl)propyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea; oxalic acid CAS Name: 1-[3-(benzenesulfonyl)propyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; oxalic acid IUPAC Name: 1-[3-(benzenesulfonyl)propyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; oxalic acid Traditional Name: 1-(3-besylpropyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; oxalic acid Formula: C21H35N3O7S MolecularWeight: 473.5835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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