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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(1-phenylethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(1-phenylethyl)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)NC(C)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S2/c1-18-9-11-20(12-10-18)17-28(33(3,30)31)23-13-14-24-22(15-23)16-25(32-24)26(29)27-19(2)21-7-5-4-6-8-21/h4-16,19H,17H2,1-3H3,(H,27,29)