(E)-but-2-enedioic acid; 3-[2-(dibutylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(dibutylamino)ethyl]-1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-isopropyl-urea; fumaric acid CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-propan-2-ylurea; (E)-2-butenedioic acid IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-[2-(dibutylamino)ethyl]-1-propan-2-ylurea; (E)-but-2-enedioic acid Traditional Name: 1-(2-besylethyl)-3-[2-(dibutylamino)ethyl]-1-isopropyl-urea; fumaric acid Formula: C26H43N3O7S MolecularWeight: 541.70052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O3S.C4H4O4/c1-5-7-15-24(16-8-6-2)17-14-23-22(26)25(20(3)4)18-19-29(27,28)21-12-10-9-11-13-21;5-3(6)1-2-4(7)8/h9-13,20H,5-8,14-19H2,1-4H3,(H,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+