3-[4-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(2-methyl-5-nitro-phenyl)sulfamoyl]phenyl]propionate Formula: C16H15N2O6S- MolecularWeight: 363.3651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11-2-6-13(18(21)22)10-15(11)17-25(23,24)14-7-3-12(4-8-14)5-9-16(19)20/h2-4,6-8,10,17H,5,9H2,1H3,(H,19,20)/p-1