O1-tert-butyl O2-ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1,2-dicarboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1,2-dicarboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C22H27ClN2O6S MolecularWeight: 482.97758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O6S/c1-5-30-20(26)19-14-24(10-11-25(19)21(27)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