3-azanyl-2-bromanyl-6-[2-(dibutylamino)ethyl]benzenesulfonic acid

Systemtic Name: 3-azanyl-2-bromanyl-6-[2-(dibutylamino)ethyl]benzenesulfonic acid Openeye Name: 3-amino-2-bromo-6-[2-(dibutylamino)ethyl]benzenesulfonic acid CAS Name: 3-amino-2-bromo-6-[2-(dibutylamino)ethyl]benzenesulfonic acid IUPAC Name: 3-amino-2-bromo-6-[2-(dibutylamino)ethyl]benzenesulfonic acid Traditional Name: 3-amino-2-bromo-6-[2-(dibutylamino)ethyl]besylic acid Formula: C16H27BrN2O3S MolecularWeight: 407.36618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCC1=C(C(=C(C=C1)N)Br)S(=O)(=O)O

Isomeric SMILES

CCCCN(CCCC)CCC1=C(C(=C(C=C1)N)Br)S(=O)(=O)O

InChI

InChI=1S/C16H27BrN2O3S/c1-3-5-10-19(11-6-4-2)12-9-13-7-8-14(18)15(17)16(13)23(20,21)22/h7-8H,3-6,9-12,18H2,1-2H3,(H,20,21,22)