N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-cyano-benzenesulfonamide

Systemtic Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-cyano-benzenesulfonamide Openeye Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2-cyano-benzenesulfonamide CAS Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-cyanobenzenesulfonamide IUPAC Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide Traditional Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-2-cyano-benzenesulfonamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNS(=O)(=O)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O3S2/c21-12-14-6-1-4-10-18(14)29(26,27)22-13-19(25)24-11-5-8-16(24)20-23-15-7-2-3-9-17(15)28-20/h1-4,6-7,9-10,16,22H,5,8,11,13H2/t16-/m0/s1