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

Systemtic Name: N-cyclooctyl-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-cyclooctyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-cyclooctyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-cyclooctyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-cyclooctyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C26H32N2O3S2 MolecularWeight: 484.67388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4CCCCCCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4CCCCCCC4)S(=O)(=O)C

InChI

InChI=1S/C26H32N2O3S2/c1-19-10-12-20(13-11-19)18-28(33(2,30)31)23-14-15-24-21(16-23)17-25(32-24)26(29)27-22-8-6-4-3-5-7-9-22/h10-17,22H,3-9,18H2,1-2H3,(H,27,29)