7-bromanyl-11-prop-2-ynyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide

Systemtic Name: 7-bromanyl-11-prop-2-ynyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide Openeye Name: 7-bromo-11-prop-2-ynyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide CAS Name: 7-bromo-11-prop-2-ynyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide IUPAC Name: 7-bromo-11-prop-2-ynyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide Traditional Name: 7-bromo-11-propargyl-12H-benzo[d][6,1,2]benzoxathiazocine 10,10-dioxide Formula: C16H12BrNO3S MolecularWeight: 378.24038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC2=CC=CC=C2OC3=C(S1(=O)=O)C=CC(=C3)Br

Isomeric SMILES

C#CCN1CC2=CC=CC=C2OC3=C(S1(=O)=O)C=CC(=C3)Br

InChI

InChI=1S/C16H12BrNO3S/c1-2-9-18-11-12-5-3-4-6-14(12)21-15-10-13(17)7-8-16(15)22(18,19)20/h1,3-8,10H,9,11H2