(3S)-5-oxidanylidene-2-(phenylsulfonyl)-3-propyl-hexanenitrile

Systemtic Name: (3S)-5-oxidanylidene-2-(phenylsulfonyl)-3-propyl-hexanenitrile Openeye Name: (3S)-2-(benzenesulfonyl)-5-oxo-3-propyl-hexanenitrile CAS Name: (3S)-2-(benzenesulfonyl)-5-oxo-3-propylhexanenitrile IUPAC Name: (3S)-2-(benzenesulfonyl)-5-oxo-3-propylhexanenitrile Traditional Name: (3S)-2-besyl-5-keto-3-propyl-hexanenitrile Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)C)C(C#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC[C@@H](CC(=O)C)C(C#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H19NO3S/c1-3-7-13(10-12(2)17)15(11-16)20(18,19)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10H2,1-2H3/t13-,15?/m0/s1