butyl 4-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(2-fluorophenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(2-fluorobenzyl)sulfonylindol-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C28H27FN2O5S MolecularWeight: 522.587783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4F

InChI

InChI=1S/C28H27FN2O5S/c1-2-3-16-36-28(33)20-12-14-22(15-13-20)30-27(32)18-31-17-26(23-9-5-7-11-25(23)31)37(34,35)19-21-8-4-6-10-24(21)29/h4-15,17H,2-3,16,18-19H2,1H3,(H,30,32)