[4-[2-[4-(3-azanyl-2-ethoxy-3-oxidanylidene-propyl)phenoxy]ethyl]phenyl] methanesulfonate

Systemtic Name: [4-[2-[4-(3-azanyl-2-ethoxy-3-oxidanylidene-propyl)phenoxy]ethyl]phenyl] methanesulfonate Openeye Name: [4-[2-[4-(3-amino-2-ethoxy-3-oxo-propyl)phenoxy]ethyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-[4-(3-amino-2-ethoxy-3-oxopropyl)phenoxy]ethyl]phenyl] ester IUPAC Name: [4-[2-[4-(3-amino-2-ethoxy-3-oxopropyl)phenoxy]ethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-[4-(3-amino-2-ethoxy-3-keto-propyl)phenoxy]ethyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C20H25NO6S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H2,21,22)