2-methyl-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]sulfamoyl]benzoate

Systemtic Name: 2-methyl-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]sulfamoyl]benzoate Openeye Name: 2-methyl-5-[[4-(3-oxopiperazin-1-yl)phenyl]sulfamoyl]benzoate CAS Name: 2-methyl-5-[[4-(3-oxo-1-piperazinyl)phenyl]sulfamoyl]benzoate IUPAC Name: 2-methyl-5-[[4-(3-oxopiperazin-1-yl)phenyl]sulfamoyl]benzoate Traditional Name: 5-[[4-(3-ketopiperazino)phenyl]sulfamoyl]-2-methyl-benzoate Formula: C18H18N3O5S- MolecularWeight: 388.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)C(=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-12-2-7-15(10-16(12)18(23)24)27(25,26)20-13-3-5-14(6-4-13)21-9-8-19-17(22)11-21/h2-7,10,20H,8-9,11H2,1H3,(H,19,22)(H,23,24)/p-1