O1-tert-butyl O4-ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-1,4-dicarboxylate CAS Name: 4-[4-(phenylthio)phenyl]sulfonylpiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-1,4-dicarboxylate Traditional Name: 4-[4-(phenylthio)phenyl]sulfonylpiperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C25H31NO6S2 MolecularWeight: 505.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H31NO6S2/c1-5-31-22(27)25(15-17-26(18-16-25)23(28)32-24(2,3)4)34(29,30)21-13-11-20(12-14-21)33-19-9-7-6-8-10-19/h6-14H,5,15-18H2,1-4H3