[(3S)-3-cyano-5-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3S)-3-cyano-5-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2S)-2-cyano-1-methyl-4-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]oxy-3-oxo-butylidene]ammonium CAS Name: [(3S)-3-cyano-5-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3S)-3-cyano-5-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)oxy-4-oxopentan-2-ylidene]azanium Traditional Name: [(2S)-2-cyano-3-keto-1-methyl-4-(4-methyl-3-piperidinosulfonyl-benzoyl)oxy-butylidene]ammonium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=[NH2+])C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C(=[NH2+])C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H23N3O5S/c1-13-6-7-15(19(24)27-12-17(23)16(11-20)14(2)21)10-18(13)28(25,26)22-8-4-3-5-9-22/h6-7,10,16,21H,3-5,8-9,12H2,1-2H3/p+1/t16-/m1/s1