3-chloranyl-6-fluoranyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-(2-methyl-5-piperidinosulfonyl-phenyl)benzothiophene-2-carboxamide Formula: C21H20ClFN2O3S2 MolecularWeight: 466.976503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN2O3S2/c1-13-5-7-15(30(27,28)25-9-3-2-4-10-25)12-17(13)24-21(26)20-19(22)16-8-6-14(23)11-18(16)29-20/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)