[4-[bis[3-oxidanylidene-3-(propylamino)propoxy]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[bis[3-oxidanylidene-3-(propylamino)propoxy]methyl]phenyl] methanesulfonate Openeye Name: [4-[bis[3-oxo-3-(propylamino)propoxy]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[bis[3-oxo-3-(propylamino)propoxy]methyl]phenyl] ester IUPAC Name: [4-[bis[3-oxo-3-(propylamino)propoxy]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[bis[3-keto-3-(propylamino)propoxy]methyl]phenyl] ester Formula: C20H32N2O7S MolecularWeight: 444.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCOC(C1=CC=C(C=C1)OS(=O)(=O)C)OCCC(=O)NCCC

Isomeric SMILES

CCCNC(=O)CCOC(C1=CC=C(C=C1)OS(=O)(=O)C)OCCC(=O)NCCC

InChI

InChI=1S/C20H32N2O7S/c1-4-12-21-18(23)10-14-27-20(28-15-11-19(24)22-13-5-2)16-6-8-17(9-7-16)29-30(3,25)26/h6-9,20H,4-5,10-15H2,1-3H3,(H,21,23)(H,22,24)