3-[2,3-bis(methylsulfonyl)propyl-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[2,3-bis(methylsulfonyl)propyl-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[2,3-bis(methylsulfonyl)propyl]amino]propanenitrile CAS Name: 3-[2,3-bis(methylsulfonyl)propyl-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[2,3-bis(methylsulfonyl)propyl]amino]propanenitrile Traditional Name: 3-[benzyl(2,3-dimesylpropyl)amino]propionitrile Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(CN(CCC#N)CC1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)CC(CN(CCC#N)CC1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C15H22N2O4S2/c1-22(18,19)13-15(23(2,20)21)12-17(10-6-9-16)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,10-13H2,1-2H3