[5-[[3,4-bis(oxidanyl)phenyl]methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[[3,4-bis(oxidanyl)phenyl]methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(3,4-dihydroxyphenyl)methylsulfamoyl]-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(3,4-dihydroxyphenyl)methylsulfamoyl]-1-naphthalenyl] ester IUPAC Name: [5-[(3,4-dihydroxyphenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(protocatechuylsulfamoyl)-1-naphthyl] ester Formula: C24H21NO7S2 MolecularWeight: 499.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=CC(=C(C=C4)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C24H21NO7S2/c1-16-8-11-18(12-9-16)34(30,31)32-23-6-2-5-20-19(23)4-3-7-24(20)33(28,29)25-15-17-10-13-21(26)22(27)14-17/h2-14,25-27H,15H2,1H3