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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(1-methyl-3-phenyl-propyl)benzothiophene-2-carboxamide Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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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)CCC4=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)CCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C28H30N2O3S2/c1-20-9-12-23(13-10-20)19-30(35(3,32)33)25-15-16-26-24(17-25)18-27(34-26)28(31)29-21(2)11-14-22-7-5-4-6-8-22/h4-10,12-13,15-18,21H,11,14,19H2,1-3H3,(H,29,31)