3-(3-azanyl-1,2-benzoxazol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

Systemtic Name: 3-(3-azanyl-1,2-benzoxazol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 3-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 3-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 3-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 3-(3-aminoindoxazen-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propionamide Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)ON=C4N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)ON=C4N)S(=O)(=O)N

InChI

InChI=1S/C22H20N4O4S/c23-22-18-13-14(5-11-19(18)30-26-22)6-12-21(27)25-16-9-7-15(8-10-16)17-3-1-2-4-20(17)31(24,28)29/h1-5,7-11,13H,6,12H2,(H2,23,26)(H,25,27)(H2,24,28,29)