[5-(phenethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(phenethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-(phenethylsulfamoyl)-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(phenethylsulfamoyl)-1-naphthalenyl] ester IUPAC Name: [5-(phenethylsulfamoyl)naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(phenethylsulfamoyl)-1-naphthyl] ester Formula: C25H23NO5S2 MolecularWeight: 481.58382

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S2/c1-19-13-15-21(16-14-19)33(29,30)31-24-11-5-10-23-22(24)9-6-12-25(23)32(27,28)26-18-17-20-7-3-2-4-8-20/h2-16,26H,17-18H2,1H3