[2-[methyl(3-morpholin-4-ylpropyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[methyl(3-morpholin-4-ylpropyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[methyl(3-morpholinopropyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[methyl-[3-(4-morpholinyl)propyl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[methyl(3-morpholin-4-ylpropyl)carbamoyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[methyl(3-morpholinopropyl)carbamoyl]benzyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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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)CCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2C(=O)N(C)CCCN3CCOCC3

InChI

InChI=1S/C23H30N2O5S/c1-19-8-10-21(11-9-19)31(27,28)30-18-20-6-3-4-7-22(20)23(26)24(2)12-5-13-25-14-16-29-17-15-25/h3-4,6-11H,5,12-18H2,1-2H3