O4-methyl O1-(phenylmethyl) 4-(4-methylpiperazin-1-yl)sulfanylperoxypiperidine-1,4-dicarboxylate

Systemtic Name: O4-methyl O1-(phenylmethyl) 4-(4-methylpiperazin-1-yl)sulfanylperoxypiperidine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-methyl 4-(4-methylpiperazin-1-yl)sulfanylperoxypiperidine-1,4-dicarboxylate CAS Name: 4-[(4-methyl-1-piperazinyl)thio]dioxypiperidine-1,4-dicarboxylic acid O4-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-methyl 4-(4-methylpiperazin-1-yl)sulfanylperoxypiperidine-1,4-dicarboxylate Traditional Name: 4-[(4-methylpiperazino)thio]peroxypiperidine-1,4-dicarboxylic acid O1-benzyl ester O4-methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)SOOC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)SOOC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H29N3O6S/c1-21-12-14-23(15-13-21)30-29-28-20(18(24)26-2)8-10-22(11-9-20)19(25)27-16-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3