6-[(E)-1-(4-dimethylaminophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(E)-1-(4-dimethylaminophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(E)-1-(4-dimethylaminophenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(E)-1-(4-dimethylaminophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(4-dimethylaminophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [4-[(E)-1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)but-1-en-3-ynyl]phenyl]-dimethyl-amine Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=CC#C)C3=CC=C(C=C3)N(C)C)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=C/C#C)/C3=CC=C(C=C3)N(C)C)N=C1N

InChI

InChI=1S/C22H24N4O2S/c1-6-7-19(16-8-11-18(12-9-16)25(4)5)17-10-13-20-21(14-17)26(22(23)24-20)29(27,28)15(2)3/h1,7-15H,2-5H3,(H2,23,24)/b19-7+