5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide Openeye Name: N-(1-methylbutyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pentan-2-yl-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(1-methylbutyl)benzothiophene-2-carboxamide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCCC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O3S2/c1-5-6-17(3)24-23(26)22-14-19-13-20(11-12-21(19)29-22)25(30(4,27)28)15-18-9-7-16(2)8-10-18/h7-14,17H,5-6,15H2,1-4H3,(H,24,26)