1-[2-(4-bromophenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-yl-urea; (E)-but-2-enedioic acid

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-yl-urea; (E)-but-2-enedioic acid Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-isopropyl-urea; fumaric acid CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; (E)-2-butenedioic acid IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-3-(2-diethylaminoethyl)-1-propan-2-ylurea; (E)-but-2-enedioic acid Traditional Name: 1-(2-brosylethyl)-3-(2-diethylaminoethyl)-1-isopropyl-urea; fumaric acid Formula: C22H34BrN3O7S MolecularWeight: 564.49026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30BrN3O3S.C4H4O4/c1-5-21(6-2)12-11-20-18(23)22(15(3)4)13-14-26(24,25)17-9-7-16(19)8-10-17;5-3(6)1-2-4(7)8/h7-10,15H,5-6,11-14H2,1-4H3,(H,20,23);1-2H,(H,5,6)(H,7,8)/b;2-1+