O3-tert-butyl O1-ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1,3-dicarboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1,3-dicarboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O6S/c1-5-30-21(27)24-10-11-25(19(14-24)20(26)31-22(2,3)4)32(28,29)18-9-7-15-12-17(23)8-6-16(15)13-18/h6-9,12-13,19H,5,10-11,14H2,1-4H3