[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetate CAS Name: 2-(6-methyl-5-propan-2-yl-3-benzofuranyl)acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C21H28N2O6S/c1-14(2)17-11-18-16(12-28-19(18)9-15(17)3)10-21(25)29-13-20(24)22-5-7-23(8-6-22)30(4,26)27/h9,11-12,14H,5-8,10,13H2,1-4H3