[3-[[3-[2-(oxan-2-yloxy)ethoxy]phenyl]sulfonyl-phenyl-amino]phenyl] methanesulfonate

Systemtic Name: [3-[[3-[2-(oxan-2-yloxy)ethoxy]phenyl]sulfonyl-phenyl-amino]phenyl] methanesulfonate Openeye Name: [3-(N-[3-(2-tetrahydropyran-2-yloxyethoxy)phenyl]sulfonylanilino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-(N-[3-[2-(2-oxanyloxy)ethoxy]phenyl]sulfonylanilino)phenyl] ester IUPAC Name: [3-(N-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]sulfonylanilino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(N-[3-(2-tetrahydropyran-2-yloxyethoxy)phenyl]sulfonylanilino)phenyl] ester Formula: C26H29NO8S2 MolecularWeight: 547.64036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OCCOC4CCCCO4

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)OCCOC4CCCCO4

InChI

InChI=1S/C26H29NO8S2/c1-36(28,29)35-24-13-7-11-22(19-24)27(21-9-3-2-4-10-21)37(30,31)25-14-8-12-23(20-25)32-17-18-34-26-15-5-6-16-33-26/h2-4,7-14,19-20,26H,5-6,15-18H2,1H3