N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C23H25FN4O3S2 MolecularWeight: 488.598003

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25FN4O3S2/c1-32-23-25-16-21(28(23)19-11-9-17(24)10-12-19)22(29)26-18-7-6-8-20(15-18)33(30,31)27-13-4-2-3-5-14-27/h6-12,15-16H,2-5,13-14H2,1H3,(H,26,29)