1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-(4-dimethylaminophenyl)but-3-yn-1-ol

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-(4-dimethylaminophenyl)but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(4-dimethylaminophenyl)but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-(4-dimethylaminophenyl)-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-(4-dimethylaminophenyl)but-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-(4-dimethylaminophenyl)but-3-yn-1-ol Formula: C22H26N4O3S MolecularWeight: 426.53184

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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)O)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-6-13-22(27,16-7-10-18(11-8-16)25(4)5)17-9-12-19-20(14-17)26(21(23)24-19)30(28,29)15(2)3/h1,7-12,14-15,27H,13H2,2-5H3,(H2,23,24)