methyl 5-[2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-[benzyl(methylsulfonyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-[benzyl(methylsulfonyl)amino]phenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[4-[benzyl(mesyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24N2O6S2 MolecularWeight: 524.60856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C26H24N2O6S2/c1-33-26(30)24-15-19-14-20(8-13-23(19)35-24)27-25(29)17-34-22-11-9-21(10-12-22)28(36(2,31)32)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,27,29)