methyl 5-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-chlorobenzyl)-tosyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H23ClN2O5S2 MolecularWeight: 543.05422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C26H23ClN2O5S2/c1-17-3-10-22(11-4-17)36(32,33)29(15-18-5-7-20(27)8-6-18)16-25(30)28-21-9-12-23-19(13-21)14-24(35-23)26(31)34-2/h3-14H,15-16H2,1-2H3,(H,28,30)