[4-[4-(6-bromanylquinolin-4-yl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid

Systemtic Name: [4-[4-(6-bromanylquinolin-4-yl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid Openeye Name: [4-[4-(6-bromo-4-quinolyl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid CAS Name: [4-[4-(6-bromo-4-quinolinyl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid IUPAC Name: [4-[4-(6-bromoquinolin-4-yl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid Traditional Name: [4-[4-(6-bromo-4-quinolyl)-1,4-diazepan-1-yl]phenyl]methanesulfinic acid Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C=C(C=CC3=NC=C2)Br)C4=CC=C(C=C4)CS(=O)O

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=C(C=CC3=NC=C2)Br)C4=CC=C(C=C4)CS(=O)O

InChI

InChI=1S/C21H22BrN3O2S/c22-17-4-7-20-19(14-17)21(8-9-23-20)25-11-1-10-24(12-13-25)18-5-2-16(3-6-18)15-28(26)27/h2-9,14H,1,10-13,15H2,(H,26,27)