N-(cyanomethyl)-2-ethyl-2,3-bis(phenylsulfonyl)butanamide

Systemtic Name: N-(cyanomethyl)-2-ethyl-2,3-bis(phenylsulfonyl)butanamide Openeye Name: 2,3-bis(benzenesulfonyl)-N-(cyanomethyl)-2-ethyl-butanamide CAS Name: 2,3-bis(benzenesulfonyl)-N-(cyanomethyl)-2-ethylbutanamide IUPAC Name: 2,3-bis(benzenesulfonyl)-N-(cyanomethyl)-2-ethylbutanamide Traditional Name: 2,3-dibesyl-N-(cyanomethyl)-2-ethyl-butyramide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)S(=O)(=O)C1=CC=CC=C1)(C(=O)NCC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(C)S(=O)(=O)C1=CC=CC=C1)(C(=O)NCC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S2/c1-3-20(19(23)22-15-14-21,29(26,27)18-12-8-5-9-13-18)16(2)28(24,25)17-10-6-4-7-11-17/h4-13,16H,3,15H2,1-2H3,(H,22,23)