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

Systemtic Name: 1-methylsulfonyl-N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonyl-N-tetrahydropyran-2-yloxy-piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-(2-oxanyloxy)-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(oxan-2-yloxy)-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-4-[4-(phenylthio)phenyl]sulfonyl-N-tetrahydropyran-2-yloxy-isonipecotamide Formula: C24H30N2O7S3 MolecularWeight: 554.6992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)(C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)(C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O7S3/c1-35(28,29)26-16-14-24(15-17-26,23(27)25-33-22-9-5-6-18-32-22)36(30,31)21-12-10-20(11-13-21)34-19-7-3-2-4-8-19/h2-4,7-8,10-13,22H,5-6,9,14-18H2,1H3,(H,25,27)