[(3S)-3-cyano-4-oxidanylidene-5-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]pent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]propyl]vinylammonium Formula: C18H21N4O4S2+ MolecularWeight: 421.51374

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)[NH3+]

InChI

InChI=1S/C18H20N4O4S2/c1-12(20)14(10-19)16(23)11-27-18-21-15-9-13(5-6-17(15)26-18)28(24,25)22-7-3-2-4-8-22/h5-6,9,14H,1-4,7-8,11,20H2/p+1/t14-/m1/s1