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

Systemtic Name: methyl 4-[2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C25H21FN2O5S/c1-33-25(30)18-9-11-20(12-10-18)27-24(29)15-28-14-23(21-7-2-3-8-22(21)28)34(31,32)16-17-5-4-6-19(26)13-17/h2-14H,15-16H2,1H3,(H,27,29)