[3-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]phenyl]-oxidanylidene-methanesulfonamide

Systemtic Name: [3-[2-[1-methyl-5-oxidanylidene-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]phenyl]-oxidanylidene-methanesulfonamide Openeye Name: [3-[2-[1-methyl-5-oxo-4-(1-piperidylmethyl)pyrrolidin-2-yl]ethynyl]phenyl]-oxo-methanesulfonamide CAS Name: [3-[2-[1-methyl-5-oxo-4-(1-piperidinylmethyl)-2-pyrrolidinyl]ethynyl]phenyl]-oxomethanesulfonamide IUPAC Name: [3-[2-[1-methyl-5-oxo-4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]ethynyl]phenyl]-oxomethanesulfonamide Traditional Name: keto-[3-[2-[5-keto-1-methyl-4-(piperidinomethyl)pyrrolidin-2-yl]ethynyl]phenyl]methanesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)CN2CCCCC2)C#CC3=CC(=CC=C3)C(=O)S(=O)(=O)N

Isomeric SMILES

CN1C(CC(C1=O)CN2CCCCC2)C#CC3=CC(=CC=C3)C(=O)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O4S/c1-22-18(13-17(19(22)24)14-23-10-3-2-4-11-23)9-8-15-6-5-7-16(12-15)20(25)28(21,26)27/h5-7,12,17-18H,2-4,10-11,13-14H2,1H3,(H2,21,26,27)