N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C24H27FN2O4S2 MolecularWeight: 490.610583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27FN2O4S2/c1-16-10-11-17(14-21(16)33(29,30)27-12-5-3-4-6-13-27)26-24(28)23-18(15-31-2)22-19(25)8-7-9-20(22)32-23/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,26,28)