[4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] ester IUPAC Name: [4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[2-cyclopropyl-2-(dimethylamino)ethyl]sulfamoyl]phenyl] ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)NCC(C3CC3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)NCC(C3CC3)N(C)C

InChI

InChI=1S/C20H26N2O5S2/c1-15-4-10-19(11-5-15)29(25,26)27-17-8-12-18(13-9-17)28(23,24)21-14-20(22(2)3)16-6-7-16/h4-5,8-13,16,20-21H,6-7,14H2,1-3H3