[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c1-15-11-21-17(12-20-15)19(25)28-13-18(24)22-7-9-23(10-8-22)29(26,27)14-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3