5-[2-azanyl-5-(methoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(methoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(methoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-(methoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(methoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(carbomethoxyamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C15H16N2O7S2 MolecularWeight: 400.42674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OC)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OC)N)S(=O)(=O)O

InChI

InChI=1S/C15H16N2O7S2/c1-9-3-5-11(8-13(9)26(21,22)23)25(19,20)14-7-10(4-6-12(14)16)17-15(18)24-2/h3-8H,16H2,1-2H3,(H,17,18)(H,21,22,23)