phenanthridin-6-ylmethyl 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid phenanthridin-6-ylmethyl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4S/c22-18-10-9-13(29(23,26)27)11-17(18)21(25)28-12-20-16-7-2-1-5-14(16)15-6-3-4-8-19(15)24-20/h1-11H,12H2,(H2,23,26,27)