N4-[(5-methylthiophen-2-yl)methyl]-N4-phenethyl-benzene-1,4-disulfonamide

Systemtic Name: N4-[(5-methylthiophen-2-yl)methyl]-N4-phenethyl-benzene-1,4-disulfonamide Openeye Name: N4-[(5-methyl-2-thienyl)methyl]-N4-phenethyl-benzene-1,4-disulfonamide CAS Name: N4-[(5-methyl-2-thiophenyl)methyl]-N4-phenethylbenzene-1,4-disulfonamide IUPAC Name: 4-N-[(5-methylthiophen-2-yl)methyl]-4-N-phenethylbenzene-1,4-disulfonamide Traditional Name: N'-[(5-methyl-2-thienyl)methyl]-N'-phenethyl-benzene-1,4-disulfonamide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22N2O4S3/c1-16-7-8-18(27-16)15-22(14-13-17-5-3-2-4-6-17)29(25,26)20-11-9-19(10-12-20)28(21,23)24/h2-12H,13-15H2,1H3,(H2,21,23,24)