(2S)-3-azanyl-2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetyl]but-3-enenitrile Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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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)N

Isomeric SMILES

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

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/t14-/m1/s1