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

Systemtic Name: methyl 5-[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzyl(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(tosyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H24N2O5S2/c1-18-8-11-22(12-9-18)35(31,32)28(16-19-6-4-3-5-7-19)17-25(29)27-21-10-13-23-20(14-21)15-24(34-23)26(30)33-2/h3-15H,16-17H2,1-2H3,(H,27,29)