methyl 5-[2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[cyclohexyl(mesitylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H32N2O5S2 MolecularWeight: 528.68338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C4CCCCC4)C

InChI

InChI=1S/C27H32N2O5S2/c1-17-12-18(2)26(19(3)13-17)36(32,33)29(22-8-6-5-7-9-22)16-25(30)28-21-10-11-23-20(14-21)15-24(35-23)27(31)34-4/h10-15,22H,5-9,16H2,1-4H3,(H,28,30)