(E)-but-2-enedioic acid; 3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-yl-urea Openeye Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-diethylaminoethyl)-1-[2-(phenylmethyl)sulfonylethyl]-1-propan-2-ylurea IUPAC Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-propan-2-ylurea; (E)-but-2-enedioic acid Traditional Name: 1-(2-benzylsulfonylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; fumaric acid Formula: C23H37N3O7S MolecularWeight: 499.62078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCS(=O)(=O)CC1=CC=CC=C1)C(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H33N3O3S.C4H4O4/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;5-3(6)1-2-4(7)8/h7-11,17H,5-6,12-16H2,1-4H3,(H,20,23);1-2H,(H,5,6)(H,7,8)/b;2-1+