N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide

Systemtic Name: N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynyl-N-tetrahydropyran-2-yloxy-piperidine-4-carboxamide CAS Name: N-(2-oxanyloxy)-4-[4-(phenylthio)phenyl]sulfonyl-1-prop-2-ynyl-4-piperidinecarboxamide IUPAC Name: N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide Traditional Name: 4-[4-(phenylthio)phenyl]sulfonyl-1-propargyl-N-tetrahydropyran-2-yloxy-isonipecotamide Formula: C26H30N2O5S2 MolecularWeight: 514.6568

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)(C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

C#CCN1CCC(CC1)(C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5S2/c1-2-17-28-18-15-26(16-19-28,25(29)27-33-24-10-6-7-20-32-24)35(30,31)23-13-11-22(12-14-23)34-21-8-4-3-5-9-21/h1,3-5,8-9,11-14,24H,6-7,10,15-20H2,(H,27,29)