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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N,N-bis(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N,N-dibenzyl-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N,N-bis(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N,N-dibenzyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N,N-dibenzyl-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C32H30N2O3S2 MolecularWeight: 554.7222

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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)N(CC4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C32H30N2O3S2/c1-24-13-15-27(16-14-24)23-34(39(2,36)37)29-17-18-30-28(19-29)20-31(38-30)32(35)33(21-25-9-5-3-6-10-25)22-26-11-7-4-8-12-26/h3-20H,21-23H2,1-2H3