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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-phenethyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-phenethyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-phenethyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-phenethyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-phenethyl-benzothiophene-2-carboxamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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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)NCCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C26H26N2O3S2/c1-19-8-10-21(11-9-19)18-28(33(2,30)31)23-12-13-24-22(16-23)17-25(32-24)26(29)27-15-14-20-6-4-3-5-7-20/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)