[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23

InChI

InChI=1S/C21H20N2O6S/c1-2-11-22-30(26,27)16-7-5-6-15(13-16)21(25)29-14-20(24)23-18-10-12-28-19-9-4-3-8-17(18)19/h1,3-9,13,18,22H,10-12,14H2,(H,23,24)