phenanthridin-6-ylmethyl 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: phenanthridin-6-ylmethyl 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid phenanthridin-6-ylmethyl ester Formula: C24H18N2O4S MolecularWeight: 430.47572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C24H18N2O4S/c1-2-15-25-31(28,29)18-13-11-17(12-14-18)24(27)30-16-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)26-23/h1,3-14,25H,15-16H2