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

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

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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=C4)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)F

InChI

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