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

Systemtic Name: 5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[methylsulfonyl(p-tolylmethyl)amino]-N-(2-morpholinoethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[2-(4-morpholinyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[mesyl-(4-methylbenzyl)amino]-N-(2-morpholinoethyl)benzothiophene-2-carboxamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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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)NCCN4CCOCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NCCN4CCOCC4)S(=O)(=O)C

InChI

InChI=1S/C24H29N3O4S2/c1-18-3-5-19(6-4-18)17-27(33(2,29)30)21-7-8-22-20(15-21)16-23(32-22)24(28)25-9-10-26-11-13-31-14-12-26/h3-8,15-16H,9-14,17H2,1-2H3,(H,25,28)