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

Systemtic Name: methyl 5-[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[brosyl(cyclohexyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H25BrN2O5S2 MolecularWeight: 565.4997

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O5S2/c1-32-24(29)22-14-16-13-18(9-12-21(16)33-22)26-23(28)15-27(19-5-3-2-4-6-19)34(30,31)20-10-7-17(25)8-11-20/h7-14,19H,2-6,15H2,1H3,(H,26,28)