tert-butyl 2-[4-(4-chlorophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-chlorophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-2-oxo-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-chlorophenyl)sulfonyl-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)sulfonyl-2-keto-piperazino]acetic acid tert-butyl ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c1-16(2,3)24-15(21)11-18-8-9-19(10-14(18)20)25(22,23)13-6-4-12(17)5-7-13/h4-7H,8-11H2,1-3H3