methyl 2-[[5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-[(4-methylphenyl)methyl-methylsulfonyl-amino]-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-[methylsulfonyl(p-tolylmethyl)amino]benzothiophene-2-carbonyl]amino]benzoate CAS Name: 2-[[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 2-[[5-[mesyl-(4-methylbenzyl)amino]benzothiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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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=CC=CC=C4C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C26H24N2O5S2/c1-17-8-10-18(11-9-17)16-28(35(3,31)32)20-12-13-23-19(14-20)15-24(34-23)25(29)27-22-7-5-4-6-21(22)26(30)33-2/h4-15H,16H2,1-3H3,(H,27,29)