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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(tetrahydrofuran-2-ylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-oxolanylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(tetrahydrofurfuryl)benzothiophene-2-carboxamide Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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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)NCC4CCCO4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCC4CCCO4)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O4S2/c1-16-5-7-17(8-6-16)15-25(31(2,27)28)19-9-10-21-18(12-19)13-22(30-21)23(26)24-14-20-4-3-11-29-20/h5-10,12-13,20H,3-4,11,14-15H2,1-2H3,(H,24,26)