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

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carboxamide Formula: C31H25ClN2O4S2 MolecularWeight: 589.1242

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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)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C31H25ClN2O4S2/c1-20-8-10-21(11-9-20)19-34(40(2,37)38)25-13-15-28-23(16-25)17-29(39-28)31(36)33-27-14-12-24(32)18-26(27)30(35)22-6-4-3-5-7-22/h3-18H,19H2,1-2H3,(H,33,36)