N4-[(5-bromanylthiophen-2-yl)methyl]-N1,N1,N4-triethyl-benzene-1,4-disulfonamide

Systemtic Name: N4-[(5-bromanylthiophen-2-yl)methyl]-N1,N1,N4-triethyl-benzene-1,4-disulfonamide Openeye Name: N4-[(5-bromo-2-thienyl)methyl]-N1,N1,N4-triethyl-benzene-1,4-disulfonamide CAS Name: N4-[(5-bromo-2-thiophenyl)methyl]-N1,N1,N4-triethylbenzene-1,4-disulfonamide IUPAC Name: 4-N-[(5-bromothiophen-2-yl)methyl]-1-N,1-N,4-N-triethylbenzene-1,4-disulfonamide Traditional Name: N'-[(5-bromo-2-thienyl)methyl]-N,N,N'-triethyl-benzene-1,4-disulfonamide Formula: C17H23BrN2O4S3 MolecularWeight: 495.47452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC)CC2=CC=C(S2)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H23BrN2O4S3/c1-4-19(5-2)26(21,22)15-8-10-16(11-9-15)27(23,24)20(6-3)13-14-7-12-17(18)25-14/h7-12H,4-6,13H2,1-3H3