[2-[3-(dimethylamino)propyl-methyl-carbamoyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[3-(dimethylamino)propyl-methyl-carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[3-(dimethylamino)propyl-methyl-carbamoyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[3-(dimethylamino)propyl-methylcarbamoyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-(dimethylamino)propyl-methyl-carbamoyl]benzyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2C(=O)N(C)CCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2C(=O)N(C)CCCN(C)C

InChI

InChI=1S/C21H28N2O4S/c1-17-10-12-19(13-11-17)28(25,26)27-16-18-8-5-6-9-20(18)21(24)23(4)15-7-14-22(2)3/h5-6,8-13H,7,14-16H2,1-4H3