phenanthridin-6-ylmethyl 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 4-methyl-3-sulfamoyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid phenanthridin-6-ylmethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)N

InChI

InChI=1S/C22H18N2O4S/c1-14-10-11-15(12-21(14)29(23,26)27)22(25)28-13-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)24-20/h2-12H,13H2,1H3,(H2,23,26,27)