(E)-4-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one

Systemtic Name: (E)-4-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one Openeye Name: (E)-4-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one CAS Name: (E)-4-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-4-(4-fluorophenyl)-3-buten-2-one IUPAC Name: (E)-4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one Traditional Name: (E)-4-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-12(2)28(26,27)24-19-11-15(6-9-18(19)23-20(24)22)17(10-13(3)25)14-4-7-16(21)8-5-14/h4-12H,1-3H3,(H2,22,23)/b17-10+