N-(3-methoxypropyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3-methoxypropyl)-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(3-methoxypropyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(3-methoxypropyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-methoxypropyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(3-methoxypropyl)benzothiophene-2-carboxamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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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)NCCCOC)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-16-5-7-17(8-6-16)15-24(30(3,26)27)19-9-10-20-18(13-19)14-21(29-20)22(25)23-11-4-12-28-2/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,23,25)