ethyl 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylate CAS Name: 4-[4-(phenylthio)phenyl]sulfonyl-1-prop-2-ynyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylate Traditional Name: 4-[4-(phenylthio)phenyl]sulfonyl-1-propargyl-isonipecotic acid ethyl ester Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S2/c1-3-16-24-17-14-23(15-18-24,22(25)28-4-2)30(26,27)21-12-10-20(11-13-21)29-19-8-6-5-7-9-19/h1,5-13H,4,14-18H2,2H3