N1-[(2S)-2-cyano-3-methyl-butan-2-yl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[(2S)-2-cyano-3-methyl-butan-2-yl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[(1S)-1-cyano-1,2-dimethyl-propyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[(2S)-2-cyano-3-methylbutan-2-yl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[(2S)-2-cyano-3-methylbutan-2-yl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S2/c1-6-19(7-2)25(22,23)15-10-8-14(9-11-15)24(20,21)18-16(5,12-17)13(3)4/h8-11,13,18H,6-7H2,1-5H3/t16-/m1/s1