N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-methylsulfonyl-benzonitrilium

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-methylsulfonyl-benzonitrilium Openeye Name: N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-methylsulfonyl-benzonitrilium CAS Name: N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-methylsulfonylbenzonitrilium IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-methylsulfonylbenzonitrilium Traditional Name: N-(1,3-benzothiazol-2-yl)-5-cyclopentyl-2-mesyl-benzonitrilium Formula: C20H19N2O2S2+ MolecularWeight: 383.50706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C2CCCC2)C#[N+]C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C2CCCC2)C#[N+]C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N2O2S2/c1-26(23,24)19-11-10-15(14-6-2-3-7-14)12-16(19)13-21-20-22-17-8-4-5-9-18(17)25-20/h4-5,8-12,14H,2-3,6-7H2,1H3/q+1