phenanthridin-6-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: phenanthridin-6-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid phenanthridin-6-ylmethyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=C(C=C4)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC=C(C=C4)S(=O)(=O)NCCC#N

InChI

InChI=1S/C24H19N3O4S/c25-14-5-15-26-32(29,30)18-12-10-17(11-13-18)24(28)31-16-23-21-8-2-1-6-19(21)20-7-3-4-9-22(20)27-23/h1-4,6-13,26H,5,15-16H2