[5-[(5-methylfuran-2-yl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(5-methylfuran-2-yl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(5-methyl-2-furyl)methylsulfamoyl]-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(5-methyl-2-furanyl)methylsulfamoyl]-1-naphthalenyl] ester IUPAC Name: [5-[(5-methylfuran-2-yl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(5-methyl-2-furyl)methylsulfamoyl]-1-naphthyl] ester Formula: C23H21NO6S2 MolecularWeight: 471.54594

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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(O4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CC=C3S(=O)(=O)NCC4=CC=C(O4)C

InChI

InChI=1S/C23H21NO6S2/c1-16-9-13-19(14-10-16)32(27,28)30-22-7-3-6-21-20(22)5-4-8-23(21)31(25,26)24-15-18-12-11-17(2)29-18/h3-14,24H,15H2,1-2H3