[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C22H20N2O5S/c1-3-11-24-30(27,28)17-9-5-8-16(12-17)22(26)29-14-20(25)19-13-23-21-15(4-2)7-6-10-18(19)21/h1,5-10,12-13,23-24H,4,11,14H2,2H3