[(3S)-3-cyano-4-oxidanylidene-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyloxy-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonyloxy-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]oxy-butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methoxy]pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[1-(2-thienylsulfonyl)isonipecotoyl]oxy-propyl]vinylammonium Formula: C16H20N3O5S2+ MolecularWeight: 398.4771

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2)[NH3+]

InChI

InChI=1S/C16H19N3O5S2/c1-11(18)13(9-17)14(20)10-24-16(21)12-4-6-19(7-5-12)26(22,23)15-3-2-8-25-15/h2-3,8,12-13H,1,4-7,10,18H2/p+1/t13-/m1/s1