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

Systemtic Name: 1-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol Openeye Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol CAS Name: 1-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-phenyl-3-butyn-1-ol IUPAC Name: 1-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylbut-3-yn-1-ol Traditional Name: 1-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-but-3-yn-1-ol Formula: C20H21N3O3S MolecularWeight: 383.46404

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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=CC=C3)O)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-4-12-20(24,15-8-6-5-7-9-15)16-10-11-17-18(13-16)23(19(21)22-17)27(25,26)14(2)3/h1,5-11,13-14,24H,12H2,2-3H3,(H2,21,22)