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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-benzyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-benzyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-benzyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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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)NCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O3S2/c1-18-8-10-20(11-9-18)17-27(32(2,29)30)22-12-13-23-21(14-22)15-24(31-23)25(28)26-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,26,28)