4-[2-[4-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfamoyl]phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfamoyl]phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-[[(1R)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]sulfamoyl]phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]sulfamoyl]phenyl]ethynyl]benzoic acid Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H22N2O6S/c1-35-27(32)25(16-21-17-28-24-5-3-2-4-23(21)24)29-36(33,34)22-14-10-19(11-15-22)7-6-18-8-12-20(13-9-18)26(30)31/h2-5,8-15,17,25,28-29H,16H2,1H3,(H,30,31)/t25-/m1/s1