(1S,5R)-N-cyano-N'-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboximidamide

Systemtic Name: (1S,5R)-N-cyano-N'-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboximidamide Openeye Name: (1S,5R)-N-cyano-N'-(p-tolylsulfonyl)-8-azabicyclo[3.2.1]octane-8-carboxamidine CAS Name: (1S,5R)-N-cyano-N'-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboximidamide IUPAC Name: (1S,5R)-N-cyano-N'-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane-8-carboximidamide Traditional Name: (1S,5R)-N-cyano-N'-tosyl-8-azabicyclo[3.2.1]octane-8-carboxamidine Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC#N)N2C3CCCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\NC#N)/N2[C@@H]3CCC[C@H]2CC3

InChI

InChI=1S/C16H20N4O2S/c1-12-5-9-15(10-6-12)23(21,22)19-16(18-11-17)20-13-3-2-4-14(20)8-7-13/h5-6,9-10,13-14H,2-4,7-8H2,1H3,(H,18,19)/t13-,14+