[5-(1,3-benzodioxol-5-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-1-naphthalenyl] ester IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(piperonylsulfamoyl)-1-naphthyl] ester Formula: C25H21NO7S2 MolecularWeight: 511.56674

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21NO7S2/c1-17-8-11-19(12-9-17)35(29,30)33-22-6-2-5-21-20(22)4-3-7-25(21)34(27,28)26-15-18-10-13-23-24(14-18)32-16-31-23/h2-14,26H,15-16H2,1H3