[5-[(2,3-dimethoxyphenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(2,3-dimethoxyphenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(2,3-dimethoxyphenyl)methylsulfamoyl]-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(2,3-dimethoxyphenyl)methylsulfamoyl]-1-naphthalenyl] ester IUPAC Name: [5-[(2,3-dimethoxyphenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(o-veratrylsulfamoyl)-1-naphthyl] ester Formula: C26H25NO7S2 MolecularWeight: 527.6092

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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=C(C(=CC=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO7S2/c1-18-13-15-20(16-14-18)36(30,31)34-23-10-5-9-22-21(23)8-6-12-25(22)35(28,29)27-17-19-7-4-11-24(32-2)26(19)33-3/h4-16,27H,17H2,1-3H3