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

Systemtic Name: [5-[(4-dimethylaminophenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(4-dimethylaminophenyl)methylsulfamoyl]-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(4-dimethylaminophenyl)methylsulfamoyl]-1-naphthalenyl] ester IUPAC Name: [5-[(4-dimethylaminophenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[[4-(dimethylamino)benzyl]sulfamoyl]-1-naphthyl] ester Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S2/c1-19-10-16-22(17-11-19)35(31,32)33-25-8-4-7-24-23(25)6-5-9-26(24)34(29,30)27-18-20-12-14-21(15-13-20)28(2)3/h4-17,27H,18H2,1-3H3