3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide

Systemtic Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide Openeye Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide CAS Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide IUPAC Name: 3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide Traditional Name: 3-(2,6-dimesylphenyl)glutaramide Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CC(=O)N)CC(=O)N

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C(CC(=O)N)CC(=O)N

InChI

InChI=1S/C13H18N2O6S2/c1-22(18,19)9-4-3-5-10(23(2,20)21)13(9)8(6-11(14)16)7-12(15)17/h3-5,8H,6-7H2,1-2H3,(H2,14,16)(H2,15,17)