5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

Systemtic Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid Openeye Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid CAS Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylthio)phenyl]benzenesulfonic acid IUPAC Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid Traditional Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-(trioxidanylthio)phenyl]besylic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC)S(=O)(=O)O)SOOO

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC)S(=O)(=O)O)SOOO

InChI

InChI=1S/C18H20N2O8S2/c1-3-19-17(21)11-5-7-13(15(9-11)29-28-27-23)14-8-6-12(18(22)20-4-2)10-16(14)30(24,25)26/h5-10,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25,26)