tert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-22(2,3)30-21(27)25-11-10-24(20(26)15-25)9-4-12-31(28,29)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-14H,4,9-12,15H2,1-3H3