4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid

Systemtic Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid Openeye Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid CAS Name: 4-[[[[[5-[anilino(oxo)methyl]-2-methoxyphenyl]thio]amino]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid Traditional Name: 4-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]thio]carbamoylamino]besylic acid Formula: C21H19N3O6S2 MolecularWeight: 473.52206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)SNC(=O)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)SNC(=O)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C21H19N3O6S2/c1-30-18-12-7-14(20(25)22-15-5-3-2-4-6-15)13-19(18)31-24-21(26)23-16-8-10-17(11-9-16)32(27,28)29/h2-13H,1H3,(H,22,25)(H2,23,24,26)(H,27,28,29)