N-[3-oxidanylidene-1-phenyl-2-(phenylsulfonyl)-3-propan-2-ylsulfonyl-propyl]propanamide

Systemtic Name: N-[3-oxidanylidene-1-phenyl-2-(phenylsulfonyl)-3-propan-2-ylsulfonyl-propyl]propanamide Openeye Name: N-[2-(benzenesulfonyl)-3-isopropylsulfonyl-3-oxo-1-phenyl-propyl]propanamide CAS Name: N-[2-(benzenesulfonyl)-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropyl]propanamide IUPAC Name: N-[2-(benzenesulfonyl)-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropyl]propanamide Traditional Name: N-(2-besyl-3-isopropylsulfonyl-3-keto-1-phenyl-propyl)propionamide Formula: C21H25NO6S2 MolecularWeight: 451.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)C(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)C(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO6S2/c1-4-18(23)22-19(16-11-7-5-8-12-16)20(21(24)29(25,26)15(2)3)30(27,28)17-13-9-6-10-14-17/h5-15,19-20H,4H2,1-3H3,(H,22,23)