N1-methyl-N4-[2-(4-methylphenyl)-2-morpholin-4-yl-ethyl]benzene-1,4-disulfonamide

Systemtic Name: N1-methyl-N4-[2-(4-methylphenyl)-2-morpholin-4-yl-ethyl]benzene-1,4-disulfonamide Openeye Name: N1-methyl-N4-[2-morpholino-2-(p-tolyl)ethyl]benzene-1,4-disulfonamide CAS Name: N1-methyl-N4-[2-(4-methylphenyl)-2-(4-morpholinyl)ethyl]benzene-1,4-disulfonamide IUPAC Name: 1-N-methyl-4-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide Traditional Name: N-methyl-N'-[2-morpholino-2-(p-tolyl)ethyl]benzene-1,4-disulfonamide Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC)N3CCOCC3

InChI

InChI=1S/C20H27N3O5S2/c1-16-3-5-17(6-4-16)20(23-11-13-28-14-12-23)15-22-30(26,27)19-9-7-18(8-10-19)29(24,25)21-2/h3-10,20-22H,11-15H2,1-2H3