3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Openeye Name: 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-benzothiophene-5-carboxamide CAS Name: 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide IUPAC Name: 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide Traditional Name: N-amylsulfonyl-3-(3,4-dichlorobenzyl)-2-methyl-benzothiophene-5-carboxamide Formula: C22H23Cl2NO3S2 MolecularWeight: 484.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2NO3S2/c1-3-4-5-10-30(27,28)25-22(26)16-7-9-21-18(13-16)17(14(2)29-21)11-15-6-8-19(23)20(24)12-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,25,26)