[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyric acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O5S/c1-15(22(27)19-14-24-20-7-4-3-6-18(19)20)30-21(26)8-5-13-25(2)31(28,29)17-11-9-16(23)10-12-17/h3-4,6-7,9-12,14-15,24H,5,8,13H2,1-2H3