(E)-but-2-enedioic acid; 3-(2-diethylaminoethyl)-1-methyl-1-[2-(phenylsulfonyl)ethyl]urea

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-diethylaminoethyl)-1-methyl-1-[2-(phenylsulfonyl)ethyl]urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-methyl-urea; fumaric acid CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-methylurea; (E)-2-butenedioic acid IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-methylurea; (E)-but-2-enedioic acid Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-methyl-urea; fumaric acid Formula: C20H31N3O7S MolecularWeight: 457.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O3S.C4H4O4/c1-4-19(5-2)12-11-17-16(20)18(3)13-14-23(21,22)15-9-7-6-8-10-15;5-3(6)1-2-4(7)8/h6-10H,4-5,11-14H2,1-3H3,(H,17,20);1-2H,(H,5,6)(H,7,8)/b;2-1+