[3-[4-(diethylcarbamoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[4-(diethylcarbamoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-acetyl-4-[[diethylamino(oxo)methyl]amino]phenoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl] ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)O)C(=O)C

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)O)C(=O)C

InChI

InChI=1S/C23H30N2O7S/c1-5-25(6-2)23(28)24-18-9-12-22(21(13-18)17(4)26)31-14-19(27)15-32-33(29,30)20-10-7-16(3)8-11-20/h7-13,19,27H,5-6,14-15H2,1-4H3,(H,24,28)