2-bromanyl-6-(methylaminomethyl)-4-naphthalen-1-yl-benzenesulfinic acid

Systemtic Name: 2-bromanyl-6-(methylaminomethyl)-4-naphthalen-1-yl-benzenesulfinic acid Openeye Name: 2-bromo-6-(methylaminomethyl)-4-(1-naphthyl)benzenesulfinic acid CAS Name: 2-bromo-6-(methylaminomethyl)-4-(1-naphthalenyl)benzenesulfinic acid IUPAC Name: 2-bromo-6-(methylaminomethyl)-4-naphthalen-1-ylbenzenesulfinic acid Traditional Name: 2-bromo-6-(methylaminomethyl)-4-(1-naphthyl)benzenesulfinic acid Formula: C18H16BrNO2S MolecularWeight: 390.29414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C(=CC(=C1)C2=CC=CC3=CC=CC=C32)Br)S(=O)O

Isomeric SMILES

CNCC1=C(C(=CC(=C1)C2=CC=CC3=CC=CC=C32)Br)S(=O)O

InChI

InChI=1S/C18H16BrNO2S/c1-20-11-14-9-13(10-17(19)18(14)23(21)22)16-8-4-6-12-5-2-3-7-15(12)16/h2-10,20H,11H2,1H3,(H,21,22)