2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenoxy]ethyl methanesulfonate Openeye Name: 2-[4-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-[4-[2-(isopropylsulfonylamino)-1-methyl-ethyl]phenyl]phenoxy]ethyl ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCOS(=O)(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCOS(=O)(=O)C

InChI

InChI=1S/C21H29NO6S2/c1-16(2)30(25,26)22-15-17(3)18-5-7-19(8-6-18)20-9-11-21(12-10-20)27-13-14-28-29(4,23)24/h5-12,16-17,22H,13-15H2,1-4H3