7-bromanyl-2-[(E)-2-phenylethenyl]quinoline; ethyl 4-sulfonylbutanoate

Systemtic Name: 7-bromanyl-2-[(E)-2-phenylethenyl]quinoline; ethyl 4-sulfonylbutanoate Openeye Name: 7-bromo-2-[(E)-styryl]quinoline; ethyl 4-sulfonylbutanoate CAS Name: 7-bromo-2-[(E)-2-phenylethenyl]quinoline; 4-sulfonylbutanoic acid ethyl ester IUPAC Name: 7-bromo-2-[(E)-2-phenylethenyl]quinoline; ethyl 4-sulfonylbutanoate Traditional Name: 7-bromo-2-[(E)-styryl]quinoline; 4-sulfonylbutyric acid ethyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC=S(=O)=O.C1=CC=C(C=C1)C=CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CCOC(=O)CCC=S(=O)=O.C1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C17H12BrN.C6H10O4S/c18-15-9-7-14-8-11-16(19-17(14)12-15)10-6-13-4-2-1-3-5-13;1-2-10-6(7)4-3-5-11(8)9/h1-12H;5H,2-4H2,1H3/b10-6+;