3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid

Systemtic Name: 3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid Openeye Name: 3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid CAS Name: 3-[[[[[5-[anilino(oxo)methyl]-2-methoxyphenyl]thio]amino]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]sulfanylcarbamoylamino]benzenesulfonic acid Traditional Name: 3-[[[2-methoxy-5-(phenylcarbamoyl)phenyl]thio]carbamoylamino]besylic acid Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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