methyl 3-[4-(4-ethanoylpiperazin-1-yl)phenoxy]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(4-ethanoylpiperazin-1-yl)phenoxy]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(4-acetylpiperazin-1-yl)phenoxy]sulfonyl-4-methyl-benzoate CAS Name: 3-[4-(4-acetyl-1-piperazinyl)phenoxy]sulfonyl-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-acetylpiperazin-1-yl)phenoxy]sulfonyl-4-methylbenzoate Traditional Name: 3-[4-(4-acetylpiperazino)phenoxy]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24N2O6S/c1-15-4-5-17(21(25)28-3)14-20(15)30(26,27)29-19-8-6-18(7-9-19)23-12-10-22(11-13-23)16(2)24/h4-9,14H,10-13H2,1-3H3