tert-butyl 4-(3-chlorophenyl)-2-(ethylsulfonylmethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chlorophenyl)-2-(ethylsulfonylmethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorophenyl)-2-(ethylsulfonylmethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-(3-chlorophenyl)-2-(ethylsulfonylmethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorophenyl)-2-(ethylsulfonylmethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-(esylmethyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCS(=O)(=O)CC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-5-27(24,25)12-15-10-20(14-8-6-7-13(19)9-14)16(22)11-21(15)17(23)26-18(2,3)4/h6-9,15H,5,10-12H2,1-4H3