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

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanenitrile IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanenitrile Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-pyrrolidinosulfonylphenyl)propionitrile Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)[C@@H](C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S2/c21-13-16(20-22-17-5-1-2-6-18(17)27-20)19(24)14-7-9-15(10-8-14)28(25,26)23-11-3-4-12-23/h1-2,5-10,16H,3-4,11-12H2/t16-/m1/s1