2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 3-keto-2-(4-methylthiazol-2-yl)-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H19N3O3S2/c1-13-12-25-18(20-13)16(11-19)17(22)14-5-7-15(8-6-14)26(23,24)21-9-3-2-4-10-21/h5-8,12,16H,2-4,9-10H2,1H3