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

Systemtic Name: [4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] ethanoate Openeye Name: [4-[5-[4-methylsulfonyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazin-1-yl]sulfonyl-2-thienyl]phenyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [4-[5-[4-mesyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazino]sulfonyl-2-thienyl]phenyl] ester Formula: C23H29N3O9S3 MolecularWeight: 587.68606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O9S3/c1-16(27)34-18-8-6-17(7-9-18)20-10-11-22(36-20)38(31,32)26-13-12-25(37(2,29)30)15-19(26)23(28)24-35-21-5-3-4-14-33-21/h6-11,19,21H,3-5,12-15H2,1-2H3,(H,24,28)