methyl 5-[2-[cyclohexyl(methylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[cyclohexyl(methylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[cyclohexyl(methylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[cyclohexyl(methylsulfonyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[cyclohexyl(methylsulfonyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[cyclohexyl(mesyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(C3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(C3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O5S2/c1-26-19(23)17-11-13-10-14(8-9-16(13)27-17)20-18(22)12-21(28(2,24)25)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,22)