ethyl 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-(2-methoxyethyl)-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methoxyethyl)-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C23H29NO5S2 MolecularWeight: 463.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S2/c1-3-29-22(25)23(13-15-24(16-14-23)17-18-28-2)31(26,27)21-11-9-20(10-12-21)30-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3