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

Systemtic Name: methyl 5-[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H25FN2O5S2 MolecularWeight: 504.594103

Click to see the large picture

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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O5S2/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)