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

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4-(4-piperidin-1-ylsulfonylphenyl)butanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-4-[4-(1-piperidylsulfonyl)phenyl]butanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-4-[4-(1-piperidinylsulfonyl)phenyl]butanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-4-(4-piperidin-1-ylsulfonylphenyl)butanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-keto-4-(4-piperidinosulfonylphenyl)butyronitrile Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)[C@H](C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S2/c23-15-18(22-24-19-6-2-3-7-21(19)29-22)20(26)14-16-8-10-17(11-9-16)30(27,28)25-12-4-1-5-13-25/h2-3,6-11,18H,1,4-5,12-14H2/t18-/m0/s1