N4,N4-diethyl-N1-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[(1-phenylcyclopropyl)methyl]benzene-1,4-disulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2(CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S2/c1-3-22(4-2)28(25,26)19-12-10-18(11-13-19)27(23,24)21-16-20(14-15-20)17-8-6-5-7-9-17/h5-13,21H,3-4,14-16H2,1-2H3