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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-piperidinosulfonylphenyl)propionitrile Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S2/c22-14-17(21-23-18-6-2-3-7-19(18)28-21)20(25)15-8-10-16(11-9-15)29(26,27)24-12-4-1-5-13-24/h2-3,6-11,17H,1,4-5,12-13H2