methyl 3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 3-[[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]sulfamoylmethyl]benzoate Openeye Name: methyl 3-[[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]sulfamoylmethyl]benzoate CAS Name: 3-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]sulfamoylmethyl]benzoate Traditional Name: 3-[[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N[C@H](CC2=CNC3=CC=CC=C32)C=O

InChI

InChI=1S/C20H20N2O5S/c1-27-20(24)15-6-4-5-14(9-15)13-28(25,26)22-17(12-23)10-16-11-21-19-8-3-2-7-18(16)19/h2-9,11-12,17,21-22H,10,13H2,1H3/t17-/m1/s1