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

Systemtic Name: methyl 5-[2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[cyclohexyl(p-tolylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[cyclohexyl(tosyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S2/c1-17-8-11-21(12-9-17)34(30,31)27(20-6-4-3-5-7-20)16-24(28)26-19-10-13-22-18(14-19)15-23(33-22)25(29)32-2/h8-15,20H,3-7,16H2,1-2H3,(H,26,28)