5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-isobutyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[(4-chlorobenzyl)-mesyl-amino]-N-isobutyl-benzothiophene-2-carboxamide Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O3S2/c1-14(2)12-23-21(25)20-11-16-10-18(8-9-19(16)28-20)24(29(3,26)27)13-15-4-6-17(22)7-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,25)