tert-butyl 1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperazine-2-carboxylate CAS Name: 1-[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperazine-2-carboxylate Traditional Name: 1-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]piperazine-2-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)C1CNCCN1C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-22(2,3)30-21(27)19-14-24-9-10-25(19)20(26)8-11-31(28,29)18-7-5-15-12-17(23)6-4-16(15)13-18/h4-7,12-13,19,24H,8-11,14H2,1-3H3