methyl 1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-4-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-4-(phenylmethyl)piperazine-2-carboxylate Openeye Name: methyl 4-benzyl-1-(4-methoxyphenyl)sulfonyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-5-oxo-4-(phenylmethyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxylate Traditional Name: 4-benzyl-5-keto-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(CC2C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(CC2C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-27-16-8-10-17(11-9-16)29(25,26)22-14-19(23)21(13-18(22)20(24)28-2)12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3