3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide

Systemtic Name: 3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Openeye Name: 3-[(4-bromo-2-chloro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzothiophene-5-carboxamide CAS Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide IUPAC Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Traditional Name: N-amylsulfonyl-3-(4-bromo-2-chloro-benzyl)-2-methyl-benzothiophene-5-carboxamide Formula: C22H23BrClNO3S2 MolecularWeight: 528.90992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)SC(=C2CC3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)SC(=C2CC3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C22H23BrClNO3S2/c1-3-4-5-10-30(27,28)25-22(26)16-7-9-21-19(12-16)18(14(2)29-21)11-15-6-8-17(23)13-20(15)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,26)