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

Systemtic Name: methyl 5-[2-[cyclohexyl(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[benzenesulfonyl(cyclohexyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[besyl(cyclohexyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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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)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(C3CCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S2/c1-31-24(28)22-15-17-14-18(12-13-21(17)32-22)25-23(27)16-26(19-8-4-2-5-9-19)33(29,30)20-10-6-3-7-11-20/h3,6-7,10-15,19H,2,4-5,8-9,16H2,1H3,(H,25,27)