[4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[5-[4-methylsulfonyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazin-1-yl]sulfonyl-2-thienyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[5-[[4-methylsulfonyl-2-[(2-oxanyloxyamino)-oxomethyl]-1-piperazinyl]sulfonyl]-2-thiophenyl]phenyl] ester IUPAC Name: [4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[5-[4-mesyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazino]sulfonyl-2-thienyl]phenyl] ester Formula: C22H29N3O10S4 MolecularWeight: 623.73976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C22H29N3O10S4/c1-37(27,28)24-12-13-25(18(15-24)22(26)23-34-20-5-3-4-14-33-20)39(31,32)21-11-10-19(36-21)16-6-8-17(9-7-16)35-38(2,29)30/h6-11,18,20H,3-5,12-15H2,1-2H3,(H,23,26)