tert-butyl 2-methyl-3-oxidanylidene-2-(phenylsulfonyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-3-oxidanylidene-2-(phenylsulfonyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzenesulfonyl)-2-methyl-3-oxo-piperazine-1-carboxylate CAS Name: 2-(benzenesulfonyl)-2-methyl-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonyl)-2-methyl-3-oxopiperazine-1-carboxylate Traditional Name: 2-besyl-3-keto-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2O5S/c1-15(2,3)23-14(20)18-11-10-17-13(19)16(18,4)24(21,22)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,19)