[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C22H22N2O5S/c1-3-13-23-30(27,28)19-9-6-8-18(14-19)22(26)29-15-21(25)24-16(2)11-12-17-7-4-5-10-20(17)24/h1,4-10,14,16,23H,11-13,15H2,2H3